SCHEMBL9414488

SCHEMBL9414488

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
STS P08842 2/20 0.51
GPR119 Q8TDV5 1/20 0.50
TP53 P04637 2/20 0.48
KDM1A O60341 1/20 0.48
LMNA P02545 2/20 0.47
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
BACE1 P56817 2/20 0.47
CTSD P07339 1/20 0.47
CTSE P14091 1/20 0.47
MMP13 P45452 1/20 0.46
EPHX2 P34913 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL9479861 1.00 ALDH1A1 (0.56) ALDH1A1STSGPR119TP53KDM1A
SCHEMBL27362692 1.00 ALDH1A1 (0.56) ALDH1A1STSGPR119TP53KDM1A
SCHEMBL8343317 0.87 STS (0.50) ALDH1A1STSTP53KDM1ALMNA
SCHEMBL27633116 0.81 ALDH1A1 (0.57) ALDH1A1STSGPR119TP53KDM1A
SCHEMBL8647868 0.81 MEN1 (0.51) GPR119TP53KDM1ASMN1; SMN2MMP13
SCHEMBL3123967 0.80 GAA (0.60) STSGPR119LMNASMN1; SMN2
SCHEMBL8648747 0.80 ALDH1A1 (0.55) ALDH1A1STSGPR119TP53LMNA
SCHEMBL8932507 0.80 ALDH1A1 (0.39) ALDH1A1STSGPR119TP53KDM1A
SCHEMBL8932430 0.80 HSD17B10 (0.42) ALDH1A1STSGPR119TP53KDM1A
SCHEMBL5414235 0.80 DPP4 (0.43) ALDH1A1STSGPR119TP53KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597821-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1994-05-18 EP disclosed
US-5242914-A 2-(heterocyclylthio) carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY, LIMITED (JP) 1993-09-07 US disclosed
US-5104867-A 2-(HETEROCYCLYLTHIO)CARBAPENEM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0337637-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1989-10-18 EP disclosed