SCHEMBL5312903

SCHEMBL5312903

CCCO/N=C(\COc1cccc(C(=O)O)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
AKR1C3 P42330 1/20 0.55
PLA2G4B P0C869 2/20 0.52
FABP1 P07148 2/20 0.49
NR1H4 Q96RI1 3/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
NR4A2 P43354 1/20 0.46
PPARG P37231 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL5312906 1.00 KMT2A (0.59) KMT2AAKR1C3PLA2G4BFABP1NR1H4
SCHEMBL5310865 0.94 KMT2A (0.57) KMT2AAKR1C3PLA2G4BFABP1NR1H4
SCHEMBL5310869 0.94 KMT2A (0.57) KMT2AAKR1C3PLA2G4BFABP1NR1H4
SCHEMBL14530963 0.91 KMT2A (0.47) KMT2AAKR1C3PLA2G4BFABP1NR1H4
SCHEMBL5312721 0.89 KMT2A (0.56) KMT2APLA2G4BNR1H4NPC1POLB
SCHEMBL5312727 0.89 KMT2A (0.56) KMT2APLA2G4BNR1H4NPC1POLB
SCHEMBL5313091 0.89 PLA2G4B (0.67) KMT2APLA2G4BNR1H4
SCHEMBL5313088 0.89 PLA2G4B (0.67) KMT2APLA2G4BNR1H4
SCHEMBL5309894 0.88 PLA2G4B (0.50) KMT2AAKR1C3PLA2G4BFABP1PPARG
SCHEMBL5309885 0.88 PLA2G4B (0.50) KMT2AAKR1C3PLA2G4BFABP1PPARG

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 2 patents. 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
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