SCHEMBL11547478

SCHEMBL11547478

CC(/C=C/C(=O)OCCCCl)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.37
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
PPARG P37231 2/20 0.36
MAOB P27338 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
LTA4H P09960 1/20 0.34
MAPK14 Q16539 1/20 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
SCHEMBL11547195 0.93 SCN9A (0.37) PPARACYP1A1CYP1B1PPARGMAOB
SCHEMBL11547770 0.91 ATM (0.42) PPARACYP1A1CYP1B1PPARGMAOB
SCHEMBL11548244 0.88 FFAR1 (0.49) PPARAPPARGMEN1KMT2A
SCHEMBL11368437 0.88 HCAR2 (0.40) CYP1A1CYP1B1PPARGFPR2SCN9A
SCHEMBL11549517 0.88 HCAR2 (0.40) CYP1A1CYP1B1PPARGFPR2SCN9A
SCHEMBL11550410 0.87 PPARG (0.37) PPARACYP1A1CYP1B1PPARGMAOB
SCHEMBL11281044 0.87 ALOX5 (0.37) PPARACYP1A1CYP1B1PPARGMAOB
SCHEMBL11554606 0.87 LMNA (0.46) PPARACYP1A1CYP1B1PPARGMEN1
SCHEMBL732546 0.85 ALDH1A1 (0.42) PPARACYP1A1CYP1B1PPARGMAOB
SCHEMBL732547 0.85 ALDH1A1 (0.42) PPARACYP1A1CYP1B1PPARGMAOB

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-4163661-A Phenoxyphenoxy crotonic acid derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1979-08-07 US disclosed