SCHEMBL9543311

SCHEMBL9543311

CCCC(CCC)Oc1ccc(C(=O)c2cn(CCCC(=O)OCC)c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.61
SRD5A1 P18405 3/20 0.60
SRD5A2 P31213 3/20 0.60
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CREBBP Q92793 1/20 0.53
CNR2 P34972 9/20 0.53
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9544332 0.96 CNR1 (0.57) CNR1SRD5A1SRD5A2POLBL3MBTL1
SCHEMBL9543728 0.95 CNR1 (0.59) CNR1SRD5A1SRD5A2POLBL3MBTL1
SCHEMBL9545448 0.94 CNR1 (0.58) CNR1SRD5A1SRD5A2POLBL3MBTL1
SCHEMBL9544612 0.94 CNR1 (0.58) CNR1SRD5A1SRD5A2POLBL3MBTL1
SCHEMBL9544391 0.94 CNR1 (0.58) CNR1SRD5A1SRD5A2POLBL3MBTL1
SCHEMBL9544642 0.90 SRD5A1 (0.73) CNR1SRD5A1SRD5A2POLBL3MBTL1
SCHEMBL9441184 0.89 SRD5A1 (0.59) CNR1SRD5A1SRD5A2POLBL3MBTL1
SCHEMBL9441241 0.86 CNR1 (0.68) CNR1SRD5A1SRD5A2POLBL3MBTL1
SCHEMBL9544353 0.85 SRD5A1 (0.68) CNR1SRD5A1SRD5A2CNR2
SCHEMBL9545413 0.85 CNR1 (0.61) CNR1SRD5A1SRD5A2POLBL3MBTL1

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