SCHEMBL16957643

SCHEMBL16957643

Cc1ccc(CO)cc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
NOTUM Q6P988 2/20 0.38
AR P10275 1/20 0.36
KCNH2 Q12809 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
S1PR1 P21453 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PDK2 Q15119 2/20 0.34
TTR P02766 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL15670036 0.86 PPARD (0.39) CYP4F2CYP4A11ARS1PR1TTR
SCHEMBL5751081 0.85 CYP4F2 (0.40) CYP4F2CYP4A11NOTUMARS1PR1
SCHEMBL12828083 0.84 PKM (0.42) NOTUMKCNH2TMEM97SIGMAR1PDK2
SCHEMBL16961827 0.83 CYP4F2 (0.42) CYP4F2CYP4A11NOTUMARKCNH2
SCHEMBL2714223 0.81 AR (0.50) CYP4F2CYP4A11ARTTRPPARG
SCHEMBL16952024 0.81 CA2 (0.48) ARTTRALDH1A1
SCHEMBL11029542 0.80 CYP4F2 (0.56) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL16952196 0.79 CYP4F2 (0.44) CYP4F2CYP4A11ARKCNH2TMEM97
SCHEMBL2239493 0.79 CYP4F2 (0.39) CYP4F2CYP4A11NOTUMARKCNH2
SCHEMBL2240142 0.79 NOTUM (0.51) CYP4F2CYP4A11NOTUMS1PR1TTR

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed