SCHEMBL5515893

SCHEMBL5515893

Oc1ccc2cc(NC(F)(F)F)c(F)cc2c1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.41
ESR2 Q92731 13/20 0.41
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL5515809 0.80 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B2
SCHEMBL5511545 0.75 ESR1 (0.35) ESR1ESR2TRPV1
SCHEMBL5515927 0.75 ESR1 (0.40) ESR1ESR2KDM4ETRPV1
SCHEMBL5514162 0.75 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2
SCHEMBL5512579 0.74 ESR1 (0.47) ESR1ESR2HSD17B1HSD17B2
SCHEMBL5511735 0.74 ESR1 (0.36) ESR1ESR2KDM4E
SCHEMBL5514272 0.73 CYP1A2 (0.44) ESR1ESR2HSD17B1HSD17B2TRPV1
SCHEMBL5511783 0.73 ESR1 (0.37) ESR1ESR2
SCHEMBL5515527 0.71 CA3 (0.33) ESR1ESR2HSD17B1HSD17B2
SCHEMBL5514269 0.71 RET (0.34) HSD17B1HSD17B2

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
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed