SCHEMBL4619153

SCHEMBL4619153

CC1(C)CC(=C(c2c[c]ccc2)c2ccc(F)cc2)CC(C)(C)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3133913 0.84 ESR1 (0.34) ESR1ALDH1A1
SCHEMBL6533645 0.84 HTR2A (0.39) ESR1ALDH1A1
SCHEMBL3068540 0.78 ESR1 (0.49) ESR1ALDH1A1
SCHEMBL4620312 0.77 ESR1 (0.38) ESR1ALDH1A1
SCHEMBL3074106 0.76 BCL2L1 (0.49) ESR1ALDH1A1
SCHEMBL3069374 0.71 LPL (0.39) ALDH1A1
SCHEMBL5601135 0.71 ESR1 (0.48) ESR1
SCHEMBL3135618 0.70 ESR1 (0.54) ESR1ALDH1A1
SCHEMBL3075044 0.70 ESR1 (0.50) ESR1
SCHEMBL3082749 0.69 NR1I2 (0.43) ESR1ALDH1A1

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 claimed
WO-2006127871-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO claimed