SCHEMBL5515809

SCHEMBL5515809

CNc1cc2ccc(O)c(F)c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.44
ESR2 Q92731 13/20 0.44
IDO1 P14902 1/20 0.38
APP P05067 3/20 0.33
ERN1 O75460 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 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
SCHEMBL5515893 0.80 ESR1 (0.41) ESR1ESR2HSD17B1HSD17B2
SCHEMBL5514162 0.77 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2
SCHEMBL5513095 0.74 ESR1 (0.37) ESR1ESR2IDO1APP
SCHEMBL5510002 0.74 ESR1 (0.42) ESR1ESR2APP
SCHEMBL5513242 0.73 ESR1 (0.40) ESR1ESR2IDO1HSD17B1HSD17B2
SCHEMBL5512579 0.73 ESR1 (0.47) ESR1ESR2HSD17B1HSD17B2
SCHEMBL5509515 0.72 IDO1 (0.48) ESR1ESR2IDO1APP
SCHEMBL5512117 0.71 ESR1 (0.49) ESR1ESR2APP
SCHEMBL5509816 0.69 PRKCI (0.34)
SCHEMBL5513279 0.69 IDO1 (0.48) ESR1IDO1APP

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