SCHEMBL11124656

SCHEMBL11124656

CCc1cccc(C(=O)NC(=O)NCc2ccc(OC(F)(F)C(Cl)Cl)cc2)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.38
PPARA Q07869 4/20 0.37
PPARG P37231 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
HTR2C P28335 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
PPARD Q03181 1/20 0.35
NAMPT P43490 1/20 0.35
MAPK14 Q16539 1/20 0.35
PYGL P06737 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL10795802 0.83 TDP1 (0.43) EPHX2TDP1PPARAPPARGNR1H4
SCHEMBL10798005 0.82 TDP1 (0.57) EPHX2TDP1PPARARAB9APYGL
SCHEMBL10798021 0.79 PPIA (0.43) EPHX2TDP1OPRM1PPARANR1H4
SCHEMBL10794810 0.79 PPIA (0.43) EPHX2OPRM1PPARANR1H4HTR2C
SCHEMBL11079539 0.68 EPHX2 (0.39) EPHX2PPARAPPARGNPC1RAB9A
SCHEMBL11080529 0.67 TDP1 (0.39) EPHX2TDP1NR1H4NPC1RAB9A
SCHEMBL11078044 0.67 EPHX2 (0.40) EPHX2TDP1PPARAPPARGNPC1
SCHEMBL515847 0.66 TDP1 (0.80) EPHX2TDP1NPC1RAB9APYGL
SCHEMBL11077930 0.66 PPARD (0.36) EPHX2PPARAPPARGNR1H4NPC1
SCHEMBL11069978 0.65 EPHX2 (0.40) EPHX2OPRM1PPARAPPARGNR1H4

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-4431667-A Imino ethers useful for controlling insect and arachnoid pests THE UPJOHN COMPANY (US) 1984-02-14 US disclosed