SCHEMBL4664822

SCHEMBL4664822

O=C(O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CPA1 P15085 7/20 0.76
CPA3 P15088 3/20 0.76
FOLH1 Q04609 3/20 0.76
CPB1 P15086 1/20 0.76
CPB2 Q96IY4 1/20 0.76
SLC1A3 P43003 1/20 0.68
SLC1A2 P43004 1/20 0.68
SLC1A1 P43005 1/20 0.68
MME P08473 1/20 0.63
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
PTGS1 P23219 1/20 0.61
XIAP P98170 1/20 0.61
SLC7A5 Q01650 1/20 0.61
NAALAD2 Q9Y3Q0 1/20 0.61

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
SCHEMBL9875948 0.98 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27291058 0.98 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL22115491 0.98 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9622038 0.93 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7439697 0.93 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7432418 0.93 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL265514 0.91 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL491524 0.91 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL265063 0.91 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL19821208 0.91 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1

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

Claimed or disclosed in 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197948-B1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL LLC (US) 2020-04-01 EP claimed
CN-107602406-B Preparation method and content control method in racecadotril as two kinds of impurity of external standard 陕西汉江药业集团股份有限公司 2019-08-20 CN claimed
CN-106833773-B M20 methanol gasoline modified alcohol additives 甘肃桑田清洁能源开发有限公司 2018-05-18 CN claimed
CN-107602406-A In racecadotril as external standard two kinds of impurity preparation method and content control method 陕西汉江药业集团股份有限公司 2018-01-19 CN claimed
CN-106833773-A M20 methanol gasoline modified alcohol additives 甘肃桑田清洁能源开发有限公司 2017-06-13 CN claimed
JP-63209884-A None JP disclosed
EP-4702033-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2026-03-04 EP disclosed
WO-2024224086-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 WO disclosed
EP-3440051-B1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RES TRIANGLE INST (US) 2024-03-20 EP disclosed
CN-117088744-A Method for constructing fluorine-containing compound by catalyzing decarboxylation of alkyl carboxylic acid by ketone compound 中山大学 2023-11-21 CN disclosed
CN-114796219-A Compound pharmaceutical composition for treating glaucoma and application thereof 沈阳药科大学 2022-07-29 CN disclosed
CN-109153635-B Neuropeptide S receptor (NPSR) agonists 研究三角协会 2022-04-08 CN disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 EP disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 EP disclosed
EP-0172346-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed
US-4297438-A USING HYDROPHILIC AND HYDROPHOBIC DEVELOPERS COMPRISING N-SULFOALKYL-N-ALKYL-P-DIAMINOBENZENES AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1981-10-27 US disclosed
US-3998641-A A 2-CYCLOTETRAMETHYLENE SULFONE-CONTAINING BETA-KETOACETANILIDE AGFA-GEVAERT, A.G. (DT) 1976-12-21 US disclosed