SCHEMBL9567100

SCHEMBL9567100

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
FAAH O00519 3/20 0.38
CASP1 P29466 10/20 0.35
MGLL Q99685 1/20 0.33
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
PLA2G4A P47712 2/20 0.31
PLA2G6 O60733 1/20 0.31
KCNA3 P22001 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
SCHEMBL9567103 1.00 CHRM1 (0.39) CHRM1FAAHCASP1MGLLCYP19A1
SCHEMBL9567199 0.88 CHRM1 (0.38) CHRM1FAAHMGLLCYP19A1LMNA
SCHEMBL9567202 0.88 CHRM1 (0.38) CHRM1FAAHMGLLCYP19A1LMNA
SCHEMBL9567198 0.88 CHRM1 (0.38) CHRM1FAAHMGLLCYP19A1LMNA
SCHEMBL9567094 0.86 FAAH (0.41) CHRM1FAAHCASP1MGLLCYP19A1
SCHEMBL9567095 0.86 FAAH (0.41) CHRM1FAAHCASP1MGLLCYP19A1
SCHEMBL9567112 0.86 FAAH (0.41) CHRM1FAAHCASP1MGLLCYP19A1
SCHEMBL9201263 0.85 CHRM1 (0.38) CHRM1FAAHMGLLCYP19A1LMNA
SCHEMBL9201254 0.85 CHRM1 (0.38) CHRM1FAAHMGLLCYP19A1LMNA
SCHEMBL9198124 0.85 CHRM1 (0.40) CHRM1FAAHCASP1MGLLCYP19A1

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