SCHEMBL4385068

SCHEMBL4385068

CC(=O)CC(=O)Nc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
KDM4C Q9H3R0 1/20 0.46
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL7529550 0.84 KMT2A (0.56) POLBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7765896 0.83 POLB (0.82) POLBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL377804 0.83 MYC (0.58) POLBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4386933 0.83 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL28504512 0.83 KMT2A (0.53) POLBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7077248 0.81 KDM4C (0.68) POLBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4392689 0.80 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL2913783 0.80 POLB (0.61) POLBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL15332191 0.79 KMT2A (0.53) POLBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2552041 0.79 KDM4E (0.57) POLBALDH1A1MEN1KMT2ACYP1A2

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