SCHEMBL5136332

SCHEMBL5136332

CCCCC(=C(c1ccccc1)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 7/20 0.89
PSMB5 P28074 6/20 0.89
PSMB2 P49721 3/20 0.89
ESR1 P03372 9/20 0.80
ESRRG P62508 6/20 0.74
PDE1A P54750 6/20 0.72
PDE1B Q01064 6/20 0.72
PDE1C Q14123 6/20 0.72
ESR2 Q92731 1/20 0.72
ESRRB O95718 1/20 0.65

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
SCHEMBL24354598 0.96 ESR1 (0.82) PSMB1PSMB5PSMB2ESR1ESRRG
SCHEMBL14539097 0.96 ESR1 (0.82) PSMB1PSMB5PSMB2ESR1ESRRG
SCHEMBL5075243 0.91 ESR1 (0.74) PSMB1PSMB5PSMB2ESR1ESRRG
SCHEMBL5075011 0.91 ESR1 (0.74) PSMB1PSMB5PSMB2ESR1ESRRG
SCHEMBL5075819 0.91 ESR1 (0.74) PSMB1PSMB5PSMB2ESR1ESRRG
SCHEMBL30902018 0.89 PSMB1 (1.00) PSMB1PSMB5PSMB2ESR1PDE1A
SCHEMBL15648408 0.89 PSMB1 (1.00) PSMB1PSMB5PSMB2ESR1PDE1A
SCHEMBL29822053 0.89 PSMB1 (1.00) PSMB1PSMB5PSMB2ESR1PDE1A
SCHEMBL7650153 0.89 PSMB1 (1.00) PSMB1PSMB5PSMB2ESR1PDE1A
SCHEMBL7650156 0.89 PSMB1 (1.00) PSMB1PSMB5PSMB2ESR1PDE1A

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-1951250-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062151-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed