SCHEMBL9544642

SCHEMBL9544642

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

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.73
SRD5A2 P31213 6/20 0.73
CNR2 P34972 9/20 0.59
CNR1 P21554 6/20 0.59
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CREBBP Q92793 1/20 0.47

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
SCHEMBL9544353 0.95 SRD5A1 (0.68) SRD5A1SRD5A2CNR2CNR1
SCHEMBL9544630 0.94 SRD5A1 (0.71) SRD5A1SRD5A2CNR2CNR1
SCHEMBL9543204 0.93 SRD5A1 (0.70) SRD5A1SRD5A2CNR2CNR1
SCHEMBL9544705 0.93 SRD5A1 (0.70) SRD5A1SRD5A2CNR2CNR1
SCHEMBL9545397 0.93 SRD5A1 (0.70) SRD5A1SRD5A2CNR2CNR1
SCHEMBL9543311 0.90 CNR1 (0.61) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL9544332 0.86 CNR1 (0.57) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL9338204 0.85 SRD5A1 (0.73) SRD5A1SRD5A2CNR2CNR1KMT2A
SCHEMBL9543728 0.84 CNR1 (0.59) SRD5A1SRD5A2CNR2CNR1POLB
SCHEMBL9441222 0.84 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