SCHEMBL11208625

SCHEMBL11208625

CCOC(=O)C(C)(C)Oc1cccc(NC(=O)N(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.53
PPARG P37231 1/20 0.53
FBP1 P09467 2/20 0.50
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48
CNR1 P21554 1/20 0.48
TP53 P04637 1/20 0.47
PNPLA2 Q96AD5 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL2655256 0.86 PPARA (0.56) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL11176132 0.83 TP53 (0.52) PPARAPPARGTP53PNPLA2HDAC6
SCHEMBL1549310 0.83 PPARA (0.58) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL31222160 0.83 PPARA (0.53) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL2655891 0.83 PPARA (0.53) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL11057662 0.80 TP53 (0.49) TP53PNPLA2HDAC6
SCHEMBL2656591 0.80 PPARA (0.55) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL31222171 0.79 PPARA (0.49) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL11683088 0.79 TP53 (0.57) TP53PNPLA2HDAC6
SCHEMBL197882 0.77 PPARA (0.64) PPARAPPARGFBP1ABCB11CYP1A2

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-4400205-A PREFERENTIAL CONTROL IN CROPS CIBA-GEIGY CORPORATION (US) 1983-08-23 US disclosed