SCHEMBL5085758

SCHEMBL5085758

Oc1ccc(C2CC3CCC2(c2ccc(O)cc2)C3)cc1.Oc1ccccc1C1(c2ccccc2O)CCCCCCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.40
ESR1 P03372 3/20 0.40
ALOX5AP P20292 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL675029 0.88 ESR2 (0.54) ESR2ESR1ALOX5APHSD17B10
SCHEMBL2002653 0.83 ESR2 (0.42) ESR2ESR1ALOX5AP
SCHEMBL5085752 0.77 ALOX5AP (0.60) ESR2ESR1ALOX5AP
SCHEMBL12893174 0.73 ESR1 (0.68) ESR2ESR1ALOX5APHSD17B10
SCHEMBL2496081 0.73 ESR1 (0.68) ESR2ESR1ALOX5APHSD17B10
SCHEMBL790991 0.72 KDM1A (0.46) ALOX5AP
SCHEMBL16581482 0.71 ESR2 (0.45) ESR2ESR1
SCHEMBL379394 0.70 ESR1 (0.46) ESR2ESR1HSD17B10
SCHEMBL31490381 0.70 ESR1 (0.46) ESR2ESR1HSD17B10
SCHEMBL2640042 0.70 ESR1 (0.46) ESR2ESR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008036454-A1 POLY (ARYLENE ETHER) COPOLYMER SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-03-27 WO disclosed