SCHEMBL9567087

SCHEMBL9567087

C=CCOC(=O)NCC(=C)[C@@H]1C[C@H](S)CN1C(=O)OCC=C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.32
FAAH O00519 1/20 0.32
CYP19A1 P11511 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
SCHEMBL9567063 0.87 POLB (0.34) CHRM1FAAHCYP19A1
SCHEMBL9567186 0.81 FAAH (0.32) CHRM1FAAHCYP19A1
SCHEMBL9567171 0.80 MMP2 (0.34) FAAHCYP19A1
SCHEMBL9596282 0.80 MMP2 (0.34) FAAHCYP19A1
SCHEMBL9595968 0.78 FAAH (0.34) CHRM1FAAHCYP19A1
SCHEMBL9567139 0.78 FAAH (0.34) CHRM1FAAHCYP19A1
SCHEMBL9595974 0.78 FAAH (0.34) CHRM1FAAHCYP19A1
SCHEMBL9567081 0.78 FAAH (0.34) CHRM1FAAHCYP19A1
SCHEMBL9567082 0.78 FAAH (0.34) CHRM1FAAHCYP19A1
SCHEMBL9567069 0.77 CYP19A1 (0.31) CYP19A1

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