SCHEMBL9255534

SCHEMBL9255534

CC(=Cc1ccc(O)c(F)c1)c1ccc(O)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.54
SNCA P37840 1/20 0.50
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
KDM1A O60341 1/20 0.46
PTGS1 P23219 10/20 0.46
ALOX5 P09917 1/20 0.46
NQO2 P16083 4/20 0.44
TUBB1 Q9H4B7 2/20 0.42
P4HB P07237 1/20 0.41

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
SCHEMBL9255530 1.00 PTGS2 (0.54) PTGS2SNCAESR1ESR2RARA
SCHEMBL9845684 0.79 KDM1A (0.42) PTGS2SNCAESR1ESR2KDM1A
SCHEMBL9845679 0.79 KDM1A (0.42) PTGS2SNCAESR1ESR2KDM1A
SCHEMBL9251408 0.76 PTGS1 (0.56) PTGS2ESR1ESR2RARARARB
SCHEMBL9251415 0.76 PTGS1 (0.56) PTGS2ESR1ESR2RARARARB
SCHEMBL9260391 0.75 PTGS2 (0.50) PTGS2ESR1ESR2RARARARB
SCHEMBL9256093 0.75 PTGS2 (0.50) PTGS2ESR1ESR2RARARARB
SCHEMBL9256099 0.75 PTGS2 (0.50) PTGS2ESR1ESR2RARARARB
SCHEMBL9260388 0.75 PTGS2 (0.50) PTGS2ESR1ESR2RARARARB
SCHEMBL2085780 0.74 AKR1C3 (0.52) SNCAKDM1APTGS1TUBB1P4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382693-A Curing agents for epoxy resins THE DOW CHEMICAL COMPANY (US) 1995-01-17 US disclosed
WO-1994026690-A1 BIS(AMINOPHENOXY)-ALPHA-SUBSTITUTED STILBENES, CURABLE MIXTURES WITH EPOXY RESINS AND CURED PRODUCTS THE DOW CHEMICAL COMPANY (US) 1994-11-24 WO disclosed
US-5300594-A Bis(aminophenoxy)-alpha-substituted stilbenes, curable mixtures with epoxy resins and cured products THE DOW CHEMICAL COMPANY (US) 1994-04-05 US disclosed