SCHEMBL9687573

SCHEMBL9687573

COC(=O)C1(CC=C(C)C)CCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
NPSR1 Q6W5P4 1/20 0.36
METAP2 P50579 2/20 0.33
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 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
SCHEMBL9687113 0.86 CYP4F2 (0.42) CYP4F2CYP4A11NPSR1
SCHEMBL9687116 0.86 CYP4F2 (0.42) CYP4F2CYP4A11NPSR1
SCHEMBL17725098 0.81 CYP4F2 (0.47) CYP4F2CYP4A11NPSR1
SCHEMBL2439508 0.80 ALOX5 (0.30)
SCHEMBL6627940 0.80 CYP4F2 (0.47) CYP4F2CYP4A11NPSR1MEN1CYP3A4
SCHEMBL25673554 0.79 CYP4F2 (0.46) CYP4F2CYP4A11NPSR1
SCHEMBL9688989 0.79 CYP2C19 (0.42)
SCHEMBL21001038 0.77 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL22614870 0.77 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL2442060 0.76 CYP2C19 (0.34) CYP4F2CYP4A11

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
US-5124343-A Carbacyclins, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-23 US disclosed
EP-0105288-B1 CARBACYCLINE, PREPARATION AND UTILIZATION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1985-12-11 EP disclosed