SCHEMBL8066356

SCHEMBL8066356

Nc1ccc(C(F)(F)F)c([O])c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
KIF11 P52732 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
FFAR4 Q5NUL3 6/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL7298662 0.81 CES2 (0.34) GAAGLAPOLBTSHRKIF11
SCHEMBL29962374 0.77 POLB (0.37) GAAGLAPOLBTSHRKIF11
SCHEMBL6310762 0.77 POLB (0.37) GAAGLAPOLBTSHRKIF11
SCHEMBL29620304 0.75 KIF11 (0.36) GAAGLAPOLBTSHRKIF11
SCHEMBL6313808 0.75 KIF11 (0.36) GAAGLAPOLBTSHRKIF11
SCHEMBL10451588 0.74 GLA (0.34) GAAGLAPOLBTSHRKIF11
SCHEMBL8049775 0.74 NOTUM (0.32) CES2
SCHEMBL22990621 0.74 KIF11 (0.32) GAAGLAPOLBTSHRKIF11
SCHEMBL3193349 0.73 POLB (0.37) GAAGLAPOLBTSHRKIF11
SCHEMBL7875126 0.71 GLA (0.32) GAAGLAPOLBTSHRKIF11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed