SCHEMBL5522928

SCHEMBL5522928

Nc1cc(C(F)(F)F)c(O)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
ATP2A2 P16615 1/20 0.39
ATP2A3 Q93084 1/20 0.39
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5515400 0.91 CA12 (0.39) CA12CA1CA2CA4CA6
SCHEMBL1100532 0.84 CA12 (0.48) CA12CA1CA2CA4CA6
SCHEMBL5514137 0.84 ALOX15 (0.50) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL8643220 0.82 CA12 (0.46) CA12CA1CA2CA4CA6
SCHEMBL4851381 0.80 GAA (0.44) CA12CA1CA2CA4CA6
SCHEMBL10357875 0.79 ALOX15 (0.46) CA12CA1CA2CA4CA6
SCHEMBL27082424 0.79 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL30368263 0.79 ALOX15 (0.46) CA12CA1CA2CA4CA6
SCHEMBL396943 0.79 ALDH1A1 (0.54) CA12CA1CA2CA4CA6
SCHEMBL6853581 0.77 CA12 (0.41) CA12CA1CA2CA4CA6

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