SCHEMBL12948988

SCHEMBL12948988

Cc1cc(C)c(C2=C(OC(=O)C(C)(C)C)CC(Cc3ccc(N)cc3)C2=O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 2/20 0.34
▸ ELANE P08246 2/20 0.32
▸ TBXA2R P21731 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ PPARG P37231 1/20 0.30

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
SCHEMBL10326979 0.91 ELANE (0.33) ELANE
SCHEMBL987301 0.90 ELANE (0.32) ELANETBXA2RL3MBTL1ABCB1PPARG
SCHEMBL10327013 0.89 L3MBTL1 (0.37) CYP26A1ELANEL3MBTL1
SCHEMBL12949064 0.88 CYP26A1 (0.37) CYP26A1ELANEL3MBTL1
SCHEMBL10326958 0.87 TBXA2R (0.33) ELANETBXA2RABCB1
SCHEMBL10326774 0.87 IDH1 (0.34) ELANEL3MBTL1PPARG
SCHEMBL10326978 0.86 ALDH1A1 (0.38) TBXA2RABCB1
SCHEMBL10326957 0.84 ELANE (0.31) ELANE
SCHEMBL10326779 0.83 SPHK1 (0.35) TBXA2RABCB1
SCHEMBL10327366 0.82 — —

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
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 — — WO disclosed
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