SCHEMBL5510002

SCHEMBL5510002

CNc1cc2ccc(O)cc2c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.42
ESR2 Q92731 11/20 0.42
APP P05067 4/20 0.40
CYP17A1 P05093 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL5515927 0.79 ESR1 (0.40) ESR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL5518555 0.79 ESR1 (0.45) ESR1ESR2APPMEN1KMT2A
SCHEMBL12912891 0.76 ESR1 (0.46) ESR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL5511508 0.75 ESR1 (0.39) ESR1ESR2APPKDM4EMEN1
SCHEMBL5514088 0.75 ESR1 (0.49) ESR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL5515809 0.74 ESR1 (0.44) ESR1ESR2APP
SCHEMBL5512117 0.73 ESR1 (0.49) ESR1ESR2APPCYP3A4
SCHEMBL5514423 0.72 ESR1 (0.46) ESR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL28692194 0.72 ESR1 (0.46) ESR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL27639116 0.71 ESR1 (0.54) ESR1ESR2APPCYP3A4KDM4E

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