SCHEMBL4544094

SCHEMBL4544094

CCCOc1ccc(NC(=O)CC(C)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
FAAH O00519 3/20 0.61
MAPT P10636 5/20 0.57
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 4/20 0.55
TSHR P16473 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MCL1 Q07820 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 2/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
PLK1 P53350 1/20 0.51

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
SCHEMBL4543223 0.94 POLB (0.65) POLBFAAHGAAL3MBTL1ALDH1A1
SCHEMBL11162351 0.87 POLB (0.58) POLBFAAHMAPTGAAL3MBTL1
SCHEMBL10713242 0.87 POLB (0.62) POLBFAAHMAPTGAAL3MBTL1
SCHEMBL2853774 0.87 POLB (0.83) POLBFAAHMAPTALDH1A1TSHR
SCHEMBL1133893 0.85 KMT2A (0.74) FAAHMAPTALDH1A1TSHRRAB9A
SCHEMBL11427058 0.81 MAPT (0.61) POLBMAPTGAAL3MBTL1ALDH1A1
SCHEMBL593172 0.80 MAPT (0.74) POLBMAPTL3MBTL1ALDH1A1TSHR
SCHEMBL11662947 0.80 FAAH (0.68) FAAHMAPTALDH1A1TSHRRAB9A
SCHEMBL7493043 0.80 FAAH (0.60) POLBFAAHMAPTGAAL3MBTL1
SCHEMBL27182821 0.80 ALDH1A1 (0.75) POLBFAAHMAPTALDH1A1TSHR

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-2009069314-A2 PIGMENT COMPOSITION, AND POLYMERIZED TONER TOYO INK MFG. CO., LTD. (JP) 2009-06-04 WO disclosed