SCHEMBL9543343

SCHEMBL9543343

CCOC[C@@H](Oc1ccc(C(=O)c2cn(CCCC(=O)O)c3ccccc23)cc1)c1ccc(CC(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.78
SRD5A2 P31213 7/20 0.78
CNR2 P34972 3/20 0.46
CNR1 P21554 3/20 0.46
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL9544348 1.00 SRD5A1 (0.78) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL9545074 1.00 SRD5A1 (0.78) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL9543719 0.92 SRD5A1 (0.66) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL9543789 0.92 SRD5A1 (0.66) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL9543756 0.92 SRD5A1 (0.66) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL9543258 0.92 SRD5A1 (0.80) SRD5A1SRD5A2CNR2CNR1ADRA1D
SCHEMBL9441204 0.92 SRD5A1 (0.83) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL8793390 0.92 SRD5A1 (0.83) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL9441229 0.92 SRD5A1 (0.83) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL9441212 0.91 SRD5A1 (0.80) SRD5A1SRD5A2CNR2CNR1POLB

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-1993016996-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-02 WO disclosed