SCHEMBL4617631

SCHEMBL4617631

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 8/20 0.37
ESR1 P03372 5/20 0.37
HTR7 P34969 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.37
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4617633 0.88 HTR7 (0.35) BCL9CTNNB1ESR1HTR7SLC6A2
SCHEMBL3135618 0.84 ESR1 (0.54) KMT2AESR1PGRCHRM2ADORA3
SCHEMBL3087766 0.79 HRH2 (0.44) SMN1; SMN2MAPT
SCHEMBL3127812 0.79 BCL9 (0.60) BCL9CTNNB1SMN1; SMN2KMT2AESR1
SCHEMBL3069744 0.78 LMNA (0.42) SMN1; SMN2ALDH1A1HSD17B10KDM4EGLA
SCHEMBL3075680 0.78 LTA4H (0.46) SMN1; SMN2KDM4E
SCHEMBL8384348 0.78 ELANE (0.55) BCL9CTNNB1SMN1; SMN2KMT2AESR1
SCHEMBL3562321 0.77 SMN1; SMN2 (0.46) SMN1; SMN2OPRD1MAPT
SCHEMBL3135615 0.77 ESR1 (0.39) SMN1; SMN2KMT2AESR1PGRCHRM2
SCHEMBL3074106 0.76 BCL2L1 (0.49) SMN1; SMN2ESR1HTR7ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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