SCHEMBL9544650

SCHEMBL9544650

CCCCCCCOc1ccc(C(=O)c2cn(CCCC(=O)O)c3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.66
CNR1 P21554 6/20 0.66
SRD5A1 P18405 4/20 0.64
SRD5A2 P31213 4/20 0.64
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTPN7 P35236 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL9543327 1.00 CNR2 (0.66) CNR2CNR1SRD5A1SRD5A2ALDH1A1
SCHEMBL9544310 0.89 CNR1 (0.62) CNR2CNR1SRD5A1SRD5A2ALDH1A1
SCHEMBL9543204 0.87 SRD5A1 (0.70) CNR2CNR1SRD5A1SRD5A2
SCHEMBL9544705 0.87 SRD5A1 (0.70) CNR2CNR1SRD5A1SRD5A2
SCHEMBL9545397 0.87 SRD5A1 (0.70) CNR2CNR1SRD5A1SRD5A2
SCHEMBL9391620 0.86 SRD5A1 (0.61) CNR2CNR1SRD5A1SRD5A2ALDH1A1
SCHEMBL9544630 0.85 SRD5A1 (0.71) CNR2CNR1SRD5A1SRD5A2
SCHEMBL9544353 0.85 SRD5A1 (0.68) CNR2CNR1SRD5A1SRD5A2
SCHEMBL9441098 0.84 SRD5A1 (0.74) CNR2CNR1SRD5A1SRD5A2ALDH1A1
SCHEMBL9544642 0.83 SRD5A1 (0.73) CNR2CNR1SRD5A1SRD5A2L3MBTL1

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