SCHEMBL9544310

SCHEMBL9544310

CCCCCCOc1ccc(C(=O)c2cn(CCCC(=O)OCC)c3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.62
CNR2 P34972 10/20 0.59
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CREBBP Q92793 1/20 0.54
SRD5A1 P18405 1/20 0.52
SRD5A2 P31213 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL9544650 0.89 CNR2 (0.66) CNR1CNR2L3MBTL1SRD5A1SRD5A2
SCHEMBL9543327 0.89 CNR2 (0.66) CNR1CNR2L3MBTL1SRD5A1SRD5A2
SCHEMBL9544612 0.87 CNR1 (0.58) CNR1CNR2POLBL3MBTL1CREBBP
SCHEMBL9544391 0.87 CNR1 (0.58) CNR1CNR2POLBL3MBTL1CREBBP
SCHEMBL9545448 0.87 CNR1 (0.58) CNR1CNR2POLBL3MBTL1CREBBP
SCHEMBL9441241 0.87 CNR1 (0.68) CNR1CNR2POLBL3MBTL1CREBBP
SCHEMBL9336481 0.87 CNR1 (0.62) CNR1CNR2POLBL3MBTL1CREBBP
SCHEMBL9543728 0.86 CNR1 (0.59) CNR1CNR2POLBL3MBTL1CREBBP
SCHEMBL9544332 0.86 CNR1 (0.57) CNR1CNR2POLBL3MBTL1CREBBP
SCHEMBL7853735 0.85 CNR1 (0.70) CNR1CNR2POLBL3MBTL1CREBBP

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