SCHEMBL5517850

SCHEMBL5517850

Oc1ccc2c(F)c(O)cc(F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.44
ESR2 Q92731 11/20 0.44
AR P10275 1/20 0.39
AKR1C3 P42330 1/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
TYR P14679 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD17B3 P37058 1/20 0.36

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
SCHEMBL30655671 0.84 ESR1 (0.46) ESR1ESR2ARAKR1C3HSD17B1
SCHEMBL7716703 0.81 ESR1 (0.44) ESR1ESR2ARAKR1C3HSD17B1
SCHEMBL5508400 0.79 ESR1 (0.42) ESR1ESR2ARAKR1C3HSD17B1
SCHEMBL5514361 0.76 ESR1 (0.40) ESR1ESR2ARAKR1C3HSD17B1
SCHEMBL5511508 0.75 ESR1 (0.39) ESR1ESR2ARAKR1C3HSD17B1
SCHEMBL5516031 0.74 ESR1 (0.43) ESR1ESR2ARAKR1C3TYR
SCHEMBL5508381 0.72 ESR1 (0.38) ESR1ESR2ARAKR1C3HSD17B1
SCHEMBL5511535 0.72 ESR1 (0.37) ESR1ESR2ARAKR1C3KDM4E
SCHEMBL29181845 0.71 ESR1 (0.44) ESR1ESR2ARAKR1C3KDM4E
SCHEMBL28857395 0.70 CA9 (0.47) ESR1ESR2ARALDH1A1HSD17B10

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