SCHEMBL9596152

SCHEMBL9596152

C=CCOC(=O)N1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1/C=C\COS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
CHRM1 P11229 1/20 0.35
MGLL Q99685 1/20 0.35
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
CYP19A1 P11511 1/20 0.32
HCRTR2 O43614 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9567072 1.00 FAAH (0.36) FAAHCHRM1MGLLF2ELANE
SCHEMBL9596161 1.00 FAAH (0.36) FAAHCHRM1MGLLF2ELANE
SCHEMBL9567073 1.00 FAAH (0.36) FAAHCHRM1MGLLF2ELANE
SCHEMBL9567202 0.87 CHRM1 (0.38) FAAHCHRM1MGLLF2ELANE
SCHEMBL9567198 0.87 CHRM1 (0.38) FAAHCHRM1MGLLF2ELANE
SCHEMBL9567199 0.87 CHRM1 (0.38) FAAHCHRM1MGLLF2ELANE
SCHEMBL9567127 0.86 CHRM1 (0.35) FAAHCHRM1MGLLF2ELANE
SCHEMBL9567126 0.86 CHRM1 (0.35) FAAHCHRM1MGLLF2ELANE
SCHEMBL7859632 0.85 FAAH (0.36) FAAHCHRM1MGLLF2ELANE
SCHEMBL9754673 0.85 FAAH (0.36) FAAHCHRM1MGLLF2ELANE

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 1 patent. 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