SCHEMBL8737331

SCHEMBL8737331

CCCCc1cc(C(F)(F)C(F)C(F)(F)F)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
ESR2 Q92731 5/20 0.47
TYR P14679 3/20 0.41
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
KLF10 Q13118 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL27675385 0.82 ESR1 (0.54) ESR1ESR2TYRNR1H2NR1H3
SCHEMBL8737327 0.80 ESR1 (0.47) ESR1ESR2TYRNR1H2NR1H3
SCHEMBL31621158 0.77 KLF10 (0.62) ESR1ESR2TYRKLF10MEN1
SCHEMBL673962 0.77 CYP2D6 (0.57) ESR1ESR2TYRKLF10MEN1
SCHEMBL5082027 0.77 KLF10 (0.62) ESR1ESR2TYRKLF10MEN1
SCHEMBL1269961 0.74 ESR1 (0.53) ESR1ESR2TYRKLF10MEN1
SCHEMBL19436821 0.74 ESR1 (0.53) ESR1ESR2TYRKLF10MEN1
SCHEMBL15539985 0.74 TYR (0.42) ESR1ESR2TYRMEN1TP53
SCHEMBL27997840 0.73 ESR1 (0.55) ESR1ESR2TYRKLF10CYP3A4
SCHEMBL31296234 0.72 ESR1 (0.48) ESR1ESR2TYRKLF10MEN1

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
EP-0833857-A1 IMPROVED SCORCH SAFETY OF CURABLE FLUOROELASTOMER COMPOSITIONS DYNEON LLC (US) 1998-04-08 EP disclosed
WO-1997000906-A1 IMPROVED SCORCH SAFETY OF CURABLE FLUOROELASTOMER COMPOSITIONS DYNEON LLC (US) 1997-01-09 WO disclosed