SCHEMBL5311769

SCHEMBL5311769

CCCO/N=C(\COc1cc(Oc2ncccn2)cc(C(=O)O)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
FABP1 P07148 3/20 0.43
AKR1C3 P42330 1/20 0.43
PLA2G4B P0C869 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
RAB9A P51151 1/20 0.39
DRD4 P21917 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL5311776 1.00 KMT2A (0.46) KMT2AMEN1FABP1AKR1C3PLA2G4B
SCHEMBL5332467 0.94 KMT2A (0.42) KMT2AMEN1FABP1PLA2G4BGAA
SCHEMBL5332472 0.94 KMT2A (0.42) KMT2AMEN1FABP1PLA2G4BGAA
SCHEMBL5312906 0.87 KMT2A (0.59) KMT2AFABP1AKR1C3PLA2G4BNPC1
SCHEMBL5312903 0.87 KMT2A (0.59) KMT2AFABP1AKR1C3PLA2G4BNPC1
SCHEMBL14530963 0.86 KMT2A (0.47) KMT2AMEN1FABP1AKR1C3PLA2G4B
SCHEMBL5313658 0.83 KMT2A (0.44) KMT2AFABP1AKR1C3PLA2G4BMAPT
SCHEMBL5313656 0.83 KMT2A (0.44) KMT2AFABP1AKR1C3PLA2G4BMAPT
SCHEMBL5310865 0.82 KMT2A (0.57) KMT2AFABP1AKR1C3PLA2G4BNPC1
SCHEMBL5310869 0.82 KMT2A (0.57) KMT2AFABP1AKR1C3PLA2G4BNPC1

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-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed