SCHEMBL4674952

SCHEMBL4674952

CCc1cc(OCC#N)ccc1C(=C1CC(C)(C)CC(C)(C)C1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXRA P19793 3/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4674950 0.80 POLB (0.34) ALDH1A1SMN1; SMN2RXRARXRBRXRG
SCHEMBL3468200 0.78 ESR1 (0.34) HPGDL3MBTL1KDM4EALDH1A1ALDH2
SCHEMBL3080491 0.75 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2RXRARXRBRXRG
SCHEMBL3467850 0.74 ESR1 (0.40) HPGDL3MBTL1KDM4EALDH1A1ALDH2
SCHEMBL3068903 0.73 PLA2G7 (0.38) HPGDL3MBTL1KDM4EALDH1A1ALDH2
SCHEMBL3076991 0.68 ALOX15 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1FFAR1
SCHEMBL3081636 0.66 GAA (0.52) L3MBTL1ALDH1A1GAAMAPT
SCHEMBL3082901 0.66 CYP19A1 (0.49) HPGDL3MBTL1KDM4EALDH1A1GAA
SCHEMBL3073731 0.65 GAA (0.43) GAA
SCHEMBL29007033 0.64 HPGD (0.46) HPGDL3MBTL1KDM4EALDH1A1GAA

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