SCHEMBL7186572

SCHEMBL7186572

CC(C)(c1cc(N)cc(C(F)(F)F)c1)c1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.41
FFAR1 O14842 1/20 0.41
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
AR P10275 1/20 0.35
KIF11 P52732 1/20 0.35
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CES2 O00748 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1C Q13936 1/20 0.34
NR2E1 Q9Y466 1/20 0.33
ALDH1A1 P00352 2/20 0.33
IKBKB O14920 1/20 0.33
CFTR P13569 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL29937626 0.88 FFAR4 (0.48) FFAR4FFAR1TSHRARGLA
SCHEMBL7194236 0.88 FFAR4 (0.48) FFAR4FFAR1TSHRARGLA
SCHEMBL8741850 0.85 ESR1 (0.47) FFAR4FFAR1TSHRMAPK1AR
SCHEMBL7192451 0.85 FFAR4 (0.43) FFAR4FFAR1TSHRMAPK1AR
SCHEMBL7187852 0.84 TSHR (0.55) FFAR4FFAR1TSHRMAPK1AR
SCHEMBL7189481 0.82 TSHR (0.46) TSHRMAPK1KIF11CES2NR2E1
SCHEMBL7182065 0.81 KIF11 (0.50) TSHRMAPK1ARKIF11GLA
SCHEMBL7184500 0.81 TSHR (0.38) FFAR4FFAR1TSHRMAPK1KIF11
SCHEMBL11021290 0.80 ALDH1A1 (0.44) FFAR4FFAR1TSHRMAPK1AR
SCHEMBL185847 0.78 CES2 (0.50) FFAR4FFAR1TSHRMAPK1KIF11

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-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed