SCHEMBL5511601

SCHEMBL5511601

Oc1ccc(NC(F)(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.41
XDH P47989 2/20 0.39
SLC22A12 Q96S37 2/20 0.39
ESR1 P03372 8/20 0.38
ESR2 Q92731 5/20 0.38
KIF11 P52732 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MIF P14174 1/20 0.34
APP P05067 2/20 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
SCHEMBL5512648 0.83 KIF11 (0.36) ESR1ESR2KIF11PDK1PDK2
SCHEMBL5514272 0.80 CYP1A2 (0.44) ESR1ESR2
SCHEMBL5513342 0.75 TAAR1 (0.33)
SCHEMBL5509895 0.74 ESR1 (0.42) ESR1ESR2
SCHEMBL5511535 0.74 ESR1 (0.37) ESR1ESR2KIF11
SCHEMBL20040857 0.74 CA1 (0.50) TNIKXDHSLC22A12ESR1ESR2
SCHEMBL1488394 0.74 TNIK (0.42) TNIKXDHSLC22A12ESR1ESR2
SCHEMBL1488396 0.74 APP (0.53) TNIKXDHSLC22A12ESR1ESR2
SCHEMBL5515527 0.72 CA3 (0.33) ESR1ESR2
SCHEMBL5514269 0.72 RET (0.34)

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