SCHEMBL5511545

SCHEMBL5511545

Oc1ccc2cc(NC(F)(F)F)c(F)c(F)c2c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
TRPV1 Q8NER1 1/20 0.35
CYP17A1 P05093 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL5513095 0.79 ESR1 (0.37) ESR1ESR2TRPV1CYP17A1CYP11B1
SCHEMBL5511645 0.76 IDO1 (0.33)
SCHEMBL5507483 0.75 ESR1 (0.38) ESR1ESR2TRPV1
SCHEMBL5515893 0.75 ESR1 (0.41) ESR1ESR2TRPV1
SCHEMBL5510375 0.74 ESR1 (0.42) ESR1ESR2TRPV1CYP17A1CYP11B1
SCHEMBL5515927 0.73 ESR1 (0.40) ESR1ESR2TRPV1CYP17A1CYP11B1
SCHEMBL5511476 0.72
SCHEMBL5509685 0.69 ESR1 (0.40) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL28692199 0.69 ESR1 (0.40) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL12912893 0.69 ESR1 (0.40) ESR1ESR2CYP17A1CYP11B1CYP11B2

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