SCHEMBL9840490

SCHEMBL9840490

CC(Oc1cccc2c(Oc3ccc(C(F)(F)F)cc3)cccc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
PPARG P37231 5/20 0.45
PPARA Q07869 5/20 0.45
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
FFAR1 O14842 2/20 0.41
ABCB11 O95342 1/20 0.41
MAPK14 Q16539 1/20 0.41
PPARD Q03181 2/20 0.40
PDK2 Q15119 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL10675473 0.88 KMT2A (0.55) PTGDR2PPARGPPARAKMT2ACYP1A2
SCHEMBL9314751 0.85 NR5A1 (0.50) KMT2A
SCHEMBL9315073 0.83 PTGDR2 (0.51) PTGDR2PPARGPPARAKMT2AFFAR1
SCHEMBL9617276 0.83 PTGDR2 (0.51) PTGDR2PPARGPPARAKMT2AFFAR1
SCHEMBL9646555 0.82 PTGDR2 (0.50) PTGDR2PPARGKMT2AFFAR1ABCB11
SCHEMBL11079040 0.82 PTGDR2 (0.43) PTGDR2PPARGPPARAKMT2ACYP1A2
SCHEMBL136831 0.81 CYP1A2 (0.54) PTGDR2PPARGPPARAKMT2ACYP1A2
SCHEMBL8089170 0.81 CYP1A2 (0.54) PTGDR2PPARGPPARAKMT2ACYP1A2
SCHEMBL8089167 0.81 CYP1A2 (0.54) PTGDR2PPARGPPARAKMT2ACYP1A2
Ammonia Solution, Strong SCHEMBL10963110 0.79 CYP1A2 (0.53) PTGDR2PPARGPPARAKMT2ACYP1A2

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-4994601-A Postemergence herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-02-19 US claimed