SCHEMBL461108

SCHEMBL461108

COC(=O)c1ccc(Cn2ccc(O)cc2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPK10 P53779 1/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
CKS1B P61024 1/20 0.49
SKP2 Q13309 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL2881295 0.86 CYP1A2 (0.54) ALDH1A1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL4462999 0.80 MAPK14 (0.73) SMN1; SMN2MEN1KMT2A
SCHEMBL23094452 0.79 MAPK14 (0.52) ALDH1A1MAPK10HPGDHSD17B10SMN1; SMN2
SCHEMBL2946109 0.77 CA1 (0.53) ALDH1A1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL459452 0.76 ALDH1A1 (0.54) ALDH1A1TP53GAASMN1; SMN2MEN1
SCHEMBL1523244 0.76 MAPK14 (0.62) TP53SMN1; SMN2ADORA2AMEN1KMT2A
SCHEMBL21575076 0.74 LMNA (0.43) ALDH1A1MAPK10TP53GAARAB9A
SCHEMBL21634096 0.74 POLB (0.46) ALDH1A1MAPK10ADORA2AMEN1KMT2A
SCHEMBL31066580 0.74 POLB (0.46) ALDH1A1MAPK10ADORA2AMEN1KMT2A
SCHEMBL2414081 0.73 MAPK10 (0.50) ALDH1A1MAPK10GAARAB9ASMN1; SMN2

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-2012011707-A2 SUBSTITUTED PYRIDINONE DERIVATIVES AND METHODS FOR MANUFACTURING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2012-01-26 WO disclosed