SCHEMBL3297

SCHEMBL3297

C[C@H](N)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
PMP22 Q01453 1/20 0.43
NLRP3 Q96P20 1/20 0.43
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CA12 O43570 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL320243 1.00 CYP3A4 (0.44) CYP3A4CYP2D6CYP1A2CYP2C9NFKB1
SCHEMBL206710 1.00 CYP3A4 (0.44) CYP3A4CYP2D6CYP1A2CYP2C9NFKB1
Hydrochloric Acid SCHEMBL975844 0.97 LMNA (0.46) CYP3A4CYP2D6CYP1A2CYP2C9NFKB1
Hydrochloric Acid SCHEMBL14744098 0.97 LMNA (0.46) CYP3A4CYP2D6CYP1A2CYP2C9NFKB1
Hydrochloric Acid SCHEMBL320242 0.97 LMNA (0.46) CYP3A4CYP2D6CYP1A2CYP2C9NFKB1
Hydrochloric Acid SCHEMBL214837 0.97 LMNA (0.46) CYP3A4CYP2D6CYP1A2CYP2C9NFKB1
Hydrochloric Acid SCHEMBL23455679 0.95 CYP3A4 (0.42) CYP3A4CYP2D6CYP1A2CYP2C9NFKB1
Hydrochloric Acid SCHEMBL21612238 0.95 CYP3A4 (0.42) CYP3A4CYP2D6CYP1A2CYP2C9NFKB1
Acetic Acid SCHEMBL5168057 0.93 CYP3A4 (0.41) CYP3A4CYP2D6CYP1A2CYP2C9NFKB1
SCHEMBL7447781 0.93 CYP3A4 (0.41) CYP3A4CYP2D6CYP1A2CYP2C9NFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2363 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528812-B Double amino acid-genipin derivative and preparation method and application thereof 广东工业大学 2025-06-03 CN claimed
CN-119528812-A Double amino acid-genipin derivative and preparation method and application thereof 广东工业大学 2025-02-28 CN claimed
CN-119470406-A Phthalic dicarboxaldehyde disinfectant concentration detection test paper and preparation method thereof 山东新华莎罗雅生物技术有限公司 2025-02-18 CN claimed
US-20240382605-A1 CONJUGATED OLIGONUCLEOTIDES AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2024-11-21 US claimed
EP-4408433-A1 CONJUGATED OLIGONUCLEOTIDES AND USES THEREOF Ionis Pharmaceuticals, Inc. (US) 2024-08-07 EP claimed
CN-118239879-A Method for preparing 3-substituted oxindole, dihydroisoindigo and tetra-substituted ethane based on primary amine and application of primary amine 泰山学院 2024-06-25 CN claimed
CN-114787171-B Industrial preparation method of compound 智腾大中华区有限公司 2024-05-14 CN claimed
CN-113198117-B Combination of chlorin derivatives and ultrasound medical systems 于波 2023-12-22 CN claimed
CN-117209395-A Synthesis method and anticancer activity of selective targeted proliferation cell nuclear antigen drug 苏州祥沁医疗科技有限公司 2023-12-12 CN claimed
EP-4073080-B1 PROCESS FOR INDUSTRIAL PREPARATION OF THE DISODIUM SALT OF ((2S)-3-([1,1'-BIPHENYL]-4-YL)-2-((HYDROXY((1R)-1-(((1-(ISOBUTYRYLOXY)ETHOXY)CARBONYL)AMINO)ETHYL)PHOSPHORYL)METHYL)PROPANOYL)-L-ALANINE KOS THERAPEUTICS INC (US) 2023-10-11 EP claimed
WO-1998032766-A1 SUBSTITUTED AMINO BICYCLIC-β-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1998-07-30 WO claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO claimed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP claimed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP claimed
EP-0725797-A1 BIVALENT THROMBIN INHIBITORS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-08-14 EP claimed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO claimed
WO-1995011921-A1 BIVALENT THROMBIN INHIBITORS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1995-05-04 WO claimed
CN-1003124-B Method for synthesizing ben butyl propylprolic acid 国家医药管理局上海医药工业研究院 1989-01-25 CN claimed
EP-0242245-A2 Chemiluminescence method for assaying compounds containing primary amino groups using 1-cyano-2-substituted benz(f)- or naphth(f)isoindole fluorescers OREAD LABORATORIES, INC. (US) 1987-10-21 EP claimed
US-4308168-A ALKYLESTERS OF AMINO ACIDS, NONTOXIC IDEMITSU KOSAN CO., LTD. (JP) 1981-12-29 US claimed