SCHEMBL9567112

SCHEMBL9567112

C=CCOC(=O)NC/C(C)=C\[C@@H]1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OCC=C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.41
CHRM1 P11229 1/20 0.38
MGLL Q99685 1/20 0.36
CASP1 P29466 5/20 0.34
CYP19A1 P11511 1/20 0.33
PLA2G4A P47712 2/20 0.31
KCNA3 P22001 1/20 0.31
PLA2G6 O60733 1/20 0.31
ELANE P08246 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9567095 1.00 FAAH (0.41) FAAHCHRM1MGLLCASP1CYP19A1
SCHEMBL9567094 1.00 FAAH (0.41) FAAHCHRM1MGLLCASP1CYP19A1
SCHEMBL9595532 0.88 CHRM1 (0.36) FAAHCHRM1MGLLCYP19A1ELANE
SCHEMBL9567109 0.88 CHRM1 (0.36) FAAHCHRM1MGLLCYP19A1ELANE
SCHEMBL9567111 0.88 CHRM1 (0.36) FAAHCHRM1MGLLCYP19A1ELANE
SCHEMBL9595541 0.88 CHRM1 (0.36) FAAHCHRM1MGLLCYP19A1ELANE
SCHEMBL9567207 0.88 CHRM1 (0.36) FAAHCHRM1MGLLCYP19A1ELANE
SCHEMBL9567100 0.86 CHRM1 (0.39) FAAHCHRM1MGLLCASP1CYP19A1
SCHEMBL9567103 0.86 CHRM1 (0.39) FAAHCHRM1MGLLCASP1CYP19A1
SCHEMBL9567224 0.85 NPSR1 (0.44) FAAHCHRM1MGLLELANESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993001192-A1 2-(2-SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-01-21 WO disclosed
EP-0522504-A1 2-(2-substituted pyrrolidinylthio)-carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1993-01-13 EP disclosed