SCHEMBL4544119

SCHEMBL4544119

CC(=O)CC(=O)Nc1cccc(OC(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
CA2 P00918 1/20 0.53
PLAU P00749 3/20 0.52
F2 P00734 1/20 0.52
PLG P00747 1/20 0.52
PLAT P00750 1/20 0.52
KLKB1 P03952 1/20 0.52
PRSS1 P07477 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.50
CNR1 P21554 1/20 0.50
HPGD P15428 2/20 0.49

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
SCHEMBL11679930 0.86 MEN1 (0.64) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL13652569 0.86 MTNR1B (0.59) MEN1KMT2AALDH1A1CA2PLAU
SCHEMBL31570065 0.86 MEN1 (0.64) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL10654061 0.85 ALDH1A1 (0.67) ALDH1A1CA2PLAUF2PLG
SCHEMBL29678387 0.85 ALDH1A1 (0.67) ALDH1A1CA2PLAUF2PLG
SCHEMBL9339596 0.85 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL11681769 0.85 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL3470179 0.84 MEN1 (0.69) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL17680726 0.84 CA2 (0.58) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL11680231 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4ECYP1A2

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