SCHEMBL5514229

SCHEMBL5514229

Oc1ccc2c(F)c(NC(F)(F)F)c(F)c(F)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
AKR1C3 P42330 1/20 0.35
ESR1 P03372 6/20 0.34
ESR2 Q92731 5/20 0.34
CCNE2 O96020 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
HSD17B3 P37058 2/20 0.32
TYR P14679 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD17B1 P14061 2/20 0.31

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
SCHEMBL7716703 0.78 ESR1 (0.44) ARAKR1C3ESR1ESR2HSD17B3
SCHEMBL5516031 0.78 ESR1 (0.43) ARAKR1C3ESR1ESR2HSD17B3
SCHEMBL5511783 0.77 ESR1 (0.37) ESR1ESR2
SCHEMBL5508367 0.77 ESR1 (0.30) ESR1ESR2
SCHEMBL5518012 0.76 ESR1 (0.36) ARAKR1C3ESR1ESR2CCNE2
SCHEMBL5511535 0.76 ESR1 (0.37) ARAKR1C3ESR1ESR2CCNE2
SCHEMBL5514361 0.72 ESR1 (0.40) ARAKR1C3ESR1ESR2HSD17B3
SCHEMBL5515927 0.72 ESR1 (0.40) ESR1ESR2CCNE2CDK4CCND1
SCHEMBL5516019 0.69
SCHEMBL5515573 0.69 CES2 (0.32)

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