SCHEMBL4740889

SCHEMBL4740889

Cc1cc(NC(=O)O)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYTH2 Q99418 1/20 0.47
GAA P10253 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
G6PD P11413 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL23539085 0.86 GAA (0.47) CYTH2GAAKMT2AMEN1G6PD
SCHEMBL10870818 0.85 KMT2A (0.52) KMT2AMEN1CYP1A2LMNAPOLB
SCHEMBL2552398 0.84 LMNA (0.61) GAAKMT2AMEN1G6PDL3MBTL1
SCHEMBL21625694 0.80 TOP1 (0.52) GAAKMT2AMEN1G6PDL3MBTL1
SCHEMBL6864047 0.79 ALDH1A1 (0.41) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL29177228 0.79 SOS1 (0.41) GAAKMT2AMEN1CYP1A2LMNA
SCHEMBL19847021 0.79 KMT2A (0.55) GAAKMT2AMEN1G6PDL3MBTL1
SCHEMBL13210692 0.79 GAA (0.58) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL27801542 0.79 TGM2 (0.58) GAAKMT2AMEN1G6PDL3MBTL1
SCHEMBL11705452 0.78 KMT2A (0.69) GAAKMT2AMEN1LMNAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed