SCHEMBL3950448

SCHEMBL3950448

NCC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.47
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
KCNN4 O15554 1/20 0.38
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL30802521 0.86 KIF11 (0.50) KIF11CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL10520172 0.84 MAPT (0.44) KIF11CYP3A4CYP2C19HIF1ACYP1A2
SCHEMBL4955482 0.84 KCNN4 (0.45) KIF11CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL28779165 0.83 CYP3A4 (0.43) KIF11CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL1177684 0.82 HIF1A (0.44) KIF11CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL27726754 0.82 HIF1A (0.44) KIF11CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL2678001 0.81 CYP2C19 (0.48) KIF11CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL1233526 0.80 HIF1A (0.42) KIF11CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL3401876 0.80 OPRM1 (0.48) KIF11KCNH2CYP2C19HIF1ACYP1A2
SCHEMBL27759298 0.80 HIF1A (0.42) KIF11CYP3A4CYP2C9KCNH2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527545-B Beta-cyclodextrin polyrotaxane with accurate insertion amount, preparation method and application thereof 北京理工大学 2022-05-17 CN claimed
CN-113527545-A Beta-cyclodextrin polyrotaxane with accurate insertion amount, preparation method and application thereof 北京理工大学 2021-10-22 CN claimed
CN-103509083-B A kind of wide spectrum beta-lactamase fluorogenic substrate and its preparation method and application 王郁生 2016-06-08 CN claimed
CN-103509083-A Broad-spectrum beta-lactamase fluorescent substrate, and preparation method and application thereof WANG YUSHENG 2014-01-15 CN claimed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 WO claimed
CN-110546155-B Process for producing peptide 浜理药品工业株式会社 2023-06-23 CN disclosed
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 WO disclosed
CN-108271357-B Molecular constructs for treatment of transplant rejection 免疫功坊股份有限公司 2022-06-07 CN disclosed
CN-113527545-B Beta-cyclodextrin polyrotaxane with accurate insertion amount, preparation method and application thereof 北京理工大学 2022-05-17 CN disclosed
CN-113527545-A Beta-cyclodextrin polyrotaxane with accurate insertion amount, preparation method and application thereof 北京理工大学 2021-10-22 CN disclosed
WO-2021127176-A1 UNNATURAL AMINO ACIDS AND USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-06-24 WO disclosed
CN-108271357-A Molecular constructs for treatment of transplant rejection 免疫功坊股份有限公司 2018-07-10 CN disclosed
CN-104350096-B Thermoplastic melt-mixed composition with amino acid heat stabilizer 纳幕尔杜邦公司 2017-02-22 CN disclosed
CN-103509083-B A kind of wide spectrum beta-lactamase fluorogenic substrate and its preparation method and application 王郁生 2016-06-08 CN disclosed
CN-103509083-A Broad-spectrum beta-lactamase fluorescent substrate, and preparation method and application thereof WANG YUSHENG 2014-01-15 CN disclosed
WO-2009027085-A1 PROCESS FOR CARRYING OUT A CHEMICAL REACTION IN A CELL CHROMATIDE LTD (GB) 2009-03-05 WO disclosed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 WO disclosed
EP-0284966-B1 Processes for the preparation of benzo (chalcogeno)[4,3,2-CD] indazoles WARNER-LAMBERT COMPANY (US) 1992-01-02 EP disclosed
US-4806654-A Processes for the preparation of benzo(chalcogeno)(4,3,2-cd)indazoles and intermediates thereof WARNER-LAMBERT COMPANY (US) 1989-02-21 US disclosed
EP-0284966-A1 Processes for the preparation of benzo (chalcogeno)[4,3,2-CD] indazoles WARNER-LAMBERT COMPANY (US) 1988-10-05 EP disclosed