SCHEMBL7948809

SCHEMBL7948809

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(=O)CCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.69
USP2 O75604 2/20 0.68
CYP19A1 P11511 2/20 0.64
OSBP P22059 3/20 0.62
CYP46A1 Q9Y6A2 2/20 0.62
LMNA P02545 1/20 0.62
ABCB1 P08183 1/20 0.62
RORC P51449 1/20 0.62
OSBP2 Q969R2 1/20 0.62
POLA1 P09884 1/20 0.56
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
SRD5A2 P31213 4/20 0.54
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
NR1H3 Q13133 1/20 0.52
CDC25A P30304 1/20 0.52

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
SCHEMBL932451 0.84 USP2 (0.74) SRD5A1USP2CYP19A1OSBPCYP46A1
SCHEMBL11977916 0.84 USP2 (0.74) SRD5A1USP2CYP19A1OSBPCYP46A1
SCHEMBL14052247 0.84 USP2 (0.74) SRD5A1USP2CYP19A1OSBPCYP46A1
SCHEMBL24264118 0.84 USP2 (0.74) SRD5A1USP2CYP19A1OSBPCYP46A1
SCHEMBL2631976 0.84 USP2 (0.74) SRD5A1USP2CYP19A1OSBPCYP46A1
SCHEMBL24927685 0.84 USP2 (0.74) SRD5A1USP2CYP19A1OSBPCYP46A1
SCHEMBL18409785 0.84 USP2 (0.74) SRD5A1USP2CYP19A1OSBPCYP46A1
SCHEMBL7601730 0.84 USP2 (0.74) SRD5A1USP2CYP19A1OSBPCYP46A1
SCHEMBL14558147 0.84 USP2 (0.74) SRD5A1USP2CYP19A1OSBPCYP46A1
SCHEMBL28185721 0.84 USP2 (0.74) SRD5A1USP2CYP19A1OSBPCYP46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6261760-B1 IDENTIFYING ANTI-MITOTIC AGENTS BY MIXING CELLS WITH A TEST AGENT; DETECTING THE EFFLUX OF FREE CHOLESTEROL BY WHICH CELLS ARE IN CONTACT WITH TEST AGENT AND COMPARE CONCENTRATIONS OF CHOLESTEROL LEVELS WITH CELLS LACKING TEST AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-07-17 US disclosed
WO-1999046592-A9 REGULATION OF THE CELL CYCLE BY STEROLS UNIV CALIFORNIA (US) 1999-11-25 WO disclosed
WO-1999046592-A1 REGULATION OF THE CELL CYCLE BY STEROLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-16 WO disclosed
US-5922554-A IDENTIFYING AN AGENT THAT BLOCK OR ENHANCE FREE CHOLESTEROL TRANSPORT BY CONTACTING THE CELL WITH AN AGENT IN THE PRESENCE OF LOW DENSITY LIPOPROTEIN(LDL), QUANITIFYING THE FREE CHOLESTEROL SELECTIVELY INTERNALIZED WITHOUT LDL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-07-13 US disclosed