SCHEMBL5599819

SCHEMBL5599819

CC1(C)CC(c2ccc(-c3cccc(CO)c3)cc2)CC(C)(C)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.45
MAP4K1 Q92918 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
ADAMTS4 O75173 1/20 0.39
ABL1 P00519 1/20 0.39
FGFR1 P11362 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CDK8 P49336 1/20 0.36
FYN P06241 2/20 0.36
DHODH Q02127 1/20 0.36
BCL2 P10415 1/20 0.35
MGLL Q99685 2/20 0.35
PIK3CB P42338 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35

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
SCHEMBL5599526 0.85 KDM1A (0.36) ADAMTS4
SCHEMBL6508796 0.80 ATP1A1 (0.37)
SCHEMBL5787848 0.74 MAP4K1 (0.39) MAP4K1
SCHEMBL18297788 0.73 PRKCI (0.76) PRKCIACMSDADAMTS4FGFR1CHRNB4
SCHEMBL16578698 0.71 PRKCI (0.68) PRKCIACMSDADAMTS4FGFR1CHRNB4
SCHEMBL4191589 0.71 PRKCI (0.72) PRKCIACMSDFGFR1CHRNB4CHRNA3
SCHEMBL3468278 0.70 FGFR1 (0.44) PRKCIACMSDADAMTS4ABL1FGFR1
SCHEMBL1520795 0.70 PRKCI (0.61) PRKCIACMSDADAMTS4FGFR1CHRNB4
SCHEMBL249824 0.69 PRKCI (0.70) PRKCIACMSDFGFR1CHRNB4CHRNA3
SCHEMBL30108284 0.69 PRKCI (0.70) PRKCIACMSDFGFR1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007500705-A 2007-01-18 JP claimed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP claimed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO disclosed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed