SCHEMBL7454797

SCHEMBL7454797

COc1ccc(CS[C@H]2C[C@@H](C(=O)O)N(C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
HTRA1 Q92743 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
LDHA P00338 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
EPHX1 P07099 1/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
IDO1 P14902 1/20 0.38
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL8440250 1.00 ALDH1A1 (0.42) ALDH1A1HPGDHTRA1SMN1; SMN2MAPT
SCHEMBL8604028 0.89 IDO1 (0.43) ALDH1A1HPGDHTRA1SMN1; SMN2MAPT
SCHEMBL8439880 0.89 IDO1 (0.43) ALDH1A1HPGDHTRA1SMN1; SMN2MAPT
SCHEMBL7165527 0.86 HTRA1 (0.45) ALDH1A1HPGDHTRA1SMN1; SMN2LDHA
SCHEMBL8435919 0.84 MAPT (0.50) ALDH1A1HPGDHTRA1SMN1; SMN2MAPT
SCHEMBL7143328 0.83 CA12 (0.41) ALDH1A1HPGDHTRA1SMN1; SMN2DPP4
SCHEMBL7143325 0.83 CA12 (0.41) ALDH1A1HPGDHTRA1SMN1; SMN2DPP4
Hydrochloric Acid SCHEMBL8579092 0.83 HPGD (0.40) ALDH1A1HPGDHTRA1SMN1; SMN2MAPT
SCHEMBL19912952 0.82 HTRA1 (0.44) ALDH1A1HPGDHTRA1SMN1; SMN2MAPT
SCHEMBL8435103 0.82 HTRA1 (0.44) ALDH1A1HPGDHTRA1SMN1; SMN2MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900797-B1 A 1-METHYLCARBAPENEM DERIVATIVE SANKYO CO (JP) 2002-08-21 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
US-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed