SCHEMBL5085752

SCHEMBL5085752

Oc1ccc(C2(c3ccc(O)cc3)CC3CCC2C3)cc1.Oc1ccccc1C1(c2ccccc2O)CCCCCCCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 16/20 0.60
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
ALOX5 P09917 1/20 0.40
HSD11B1 P28845 1/20 0.33

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
SCHEMBL675028 0.88 ESR2 (0.57) ALOX5APESR1ESR2ALOX5HSD11B1
SCHEMBL12954721 0.82 ALOX5AP (0.63) ALOX5APESR1ESR2ALOX5HSD11B1
SCHEMBL259032 0.82 ALOX5AP (0.63) ALOX5APESR1ESR2ALOX5HSD11B1
SCHEMBL8632522 0.78 ALOX5AP (0.61) ALOX5APALOX5HSD11B1
SCHEMBL5085758 0.77 ESR2 (0.40) ALOX5APESR1ESR2
SCHEMBL2496081 0.76 ESR1 (0.68) ALOX5APESR1ESR2HSD11B1
SCHEMBL12893174 0.76 ESR1 (0.68) ALOX5APESR1ESR2HSD11B1
SCHEMBL12920588 0.76 ALOX5AP (0.56) ALOX5APESR2ALOX5HSD11B1
SCHEMBL12920599 0.76 ALOX5AP (0.56) ALOX5APESR2ALOX5HSD11B1
SCHEMBL12948105 0.76 ALOX5AP (0.56) ALOX5APESR2ALOX5HSD11B1

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