SCHEMBL3135618

SCHEMBL3135618

CC(=O)Oc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.54
PGR P06401 1/20 0.54
CHRM2 P08172 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
AR P10275 1/20 0.54
CHRM1 P11229 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
ELANE P08246 2/20 0.42
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAOB P27338 2/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
GLA P06280 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 3/20 0.34

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
SCHEMBL5785595 0.88 ESR1 (0.55) ESR1PGRCHRM2ADORA3AR
SCHEMBL3135615 0.87 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL4617631 0.84 BCL9 (0.44) ESR1PGRCHRM2ADORA3AR
SCHEMBL3074106 0.81 BCL2L1 (0.49) ESR1ALDH1A1OPRD1KDM4E
SCHEMBL3069744 0.81 LMNA (0.42) HSD17B10LMNAMAOBGLAGAA
SCHEMBL4620312 0.80 ESR1 (0.38) ESR1KMT2AMEN1MAPTALDH1A1
SCHEMBL3068540 0.78 ESR1 (0.49) ESR1KMT2AMEN1GAAALDH1A1
SCHEMBL6533645 0.78 HTR2A (0.39) ESR1CHRM2CHRM1LMNAKMT2A
SCHEMBL3078605 0.78 CXCR2 (0.36) ESR1PGRCHRM2ADORA3AR
SCHEMBL3075680 0.78 LTA4H (0.46) KDM4E

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
EP-1891026-B1 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2010-07-14 EP disclosed
EP-1891026-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Smithkline Beecham Corporation (US) 2008-02-27 EP disclosed
WO-2006127871-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO disclosed