SCHEMBL13796898

SCHEMBL13796898

CCC1(CCCC(=O)O)CCC2C(CC3(CC3)C3=CC(=O)CCC32N)C1C1CC1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.32
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13556656 0.73 SHBG (0.44) ARCYP3A4ALDH1A1
SCHEMBL13796902 0.72 PGR (0.34) AR
SCHEMBL13796510 0.70 PGR (0.47) ARCYP3A4ALDH1A1
SCHEMBL13768718 0.70 AR (0.45) ARALDH1A1
SCHEMBL13768826 0.66 — —
SCHEMBL13769023 0.64 PGR (0.43) ARCYP3A4ALDH1A1
SCHEMBL13796904 0.64 PGR (0.37) AR
SCHEMBL13768840 0.64 PGR (0.36) AR
SCHEMBL13342047 0.61 AR (0.33) ARHIF1A
SCHEMBL13768466 0.59 CYP19A1 (0.37) ARCYP3A4CYP2C9ALDH1A1

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-2009083269-A1 15,16-METHYLENE-17-HYDROXY-19-NOR-21-CARBOXYLIC ACID γ-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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