SCHEMBL8959531

SCHEMBL8959531

CCCC(CCCCCCC(=O)c1cn(CCCC(=O)OCC)c2ccccc12)c1ccc(CC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.50
SRD5A1 P18405 5/20 0.49
SRD5A2 P31213 5/20 0.49
CREBBP Q92793 1/20 0.47
CNR2 P34972 7/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8959893 0.97 CNR1 (0.50) CNR1SRD5A1SRD5A2CREBBPCNR2
SCHEMBL8959720 0.96 CNR1 (0.51) CNR1SRD5A1SRD5A2CREBBPCNR2
SCHEMBL8959818 0.90 SRD5A1 (0.57) CNR1SRD5A1SRD5A2CREBBPCNR2
SCHEMBL8959820 0.87 SRD5A1 (0.57) CNR1SRD5A1SRD5A2CNR2
SCHEMBL8959704 0.86 CNR1 (0.56) CNR1SRD5A1SRD5A2CREBBPCNR2
SCHEMBL8959975 0.86 SRD5A1 (0.58) CNR1SRD5A1SRD5A2CREBBPCNR2
SCHEMBL8959655 0.85 SRD5A1 (0.49) CNR1SRD5A1SRD5A2CREBBPCNR2
SCHEMBL9289595 0.85 SRD5A1 (0.46) CNR1SRD5A1SRD5A2CNR2L3MBTL1
SCHEMBL8959830 0.83 CNR1 (0.49) CNR1SRD5A1SRD5A2CREBBPCNR2
SCHEMBL8959670 0.81 CNR1 (0.66) CNR1CREBBPCNR2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed