SCHEMBL8959708

SCHEMBL8959708

CCOC(=O)CCCn1cc(CCCCCc2ccc(CC(C)C)cc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
CREBBP Q92793 1/20 0.50
SRD5A1 P18405 3/20 0.45
SRD5A2 P31213 3/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
TNF P01375 2/20 0.44
CDC25A P30304 1/20 0.43
ICMT O60725 1/20 0.43
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.43
HDAC3 O15379 1/20 0.42
CTNNB1 P35222 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8959958 0.87 SRD5A1 (0.55) CREBBPSRD5A1SRD5A2CDC25AMCL1
SCHEMBL8959704 0.87 CNR1 (0.56) CNR1CREBBPSRD5A1SRD5A2LMNA
SCHEMBL8959660 0.86 SRD5A1 (0.43) CNR1CREBBPSRD5A1SRD5A2CYP4F2
SCHEMBL8960038 0.86 CNR1 (0.56) CNR1CREBBPCYP4F2CYP4A11TNF
SCHEMBL27303032 0.80 SRD5A1 (0.62) CNR1CREBBPSRD5A1SRD5A2LMNA
SCHEMBL9334438 0.79 CNR1 (0.46) CNR1CREBBPSRD5A1SRD5A2TNF
SCHEMBL28840780 0.79 CREBBP (0.62) CNR1CREBBPCYP4F2CYP4A11TNF
SCHEMBL8959981 0.79 CNR1 (0.51) CNR1CREBBPCYP4F2CYP4A11TNF
SCHEMBL11381706 0.79 HTR6 (0.57) CNR1CREBBPTNF
SCHEMBL765861 0.79 CYP4Z1 (0.55) CYP4F2CYP4A11

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
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed