SCHEMBL11005272

SCHEMBL11005272

COC(=O)CC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ MMP2 P08253 3/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL10880100 1.00 MAPK14 (0.42) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL10880352 0.88 IDH1 (0.46) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL10999451 0.88 MMP2 (0.42) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL11001857 0.88 IDH1 (0.46) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL11010289 0.88 MAPK14 (0.43) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL10880010 0.88 FNTA (0.46) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL11010244 0.88 MAPK14 (0.43) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL11005082 0.88 FNTA (0.46) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL10878283 0.86 EPHX2 (0.42) FPR2SCN9AMEN1KMT2ALTA4H
SCHEMBL10999455 0.86 MAPK14 (0.39) MAPK14PPARGPPARAFPR2SCN9A

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-4561882-A HERBICIDES ZOECON CORPORATION (US) 1985-12-31 — — US disclosed
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