SCHEMBL9754725

SCHEMBL9754725

C=CCOC(=O)N1CC(S)CC1CC1C[C@@H](C(=O)NC)N(C(=O)OCC=C)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ECE1 P42892 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
SCHEMBL9020562 1.00 CYP19A1 (0.31) CYP19A1SIGMAR1ECE1
SCHEMBL9020557 1.00 CYP19A1 (0.31) CYP19A1SIGMAR1ECE1
SCHEMBL9754671 0.86
SCHEMBL9020698 0.86
SCHEMBL9020712 0.86
SCHEMBL9754760 0.85
SCHEMBL9020427 0.85
SCHEMBL9020433 0.85
SCHEMBL9020689 0.77 CYP19A1 (0.34) CYP19A1SIGMAR1
SCHEMBL9020693 0.77 CYP19A1 (0.34) CYP19A1SIGMAR1

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-1991014687-A1 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-03 WO disclosed