SCHEMBL5313433

SCHEMBL5313433

CCCON=C(COc1cccc(C(=O)OC)c1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
PLA2G4B P0C869 1/20 0.43
FABP1 P07148 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 2/20 0.41
PPARG P37231 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5313429 1.00 RAB9A (0.47) RAB9ASMN1; SMN2NPC1POLBBLM
SCHEMBL5310865 0.90 KMT2A (0.57) RAB9ANPC1POLBKMT2APLA2G4B
SCHEMBL5310869 0.90 KMT2A (0.57) RAB9ANPC1POLBKMT2APLA2G4B
SCHEMBL5312906 0.85 KMT2A (0.59) RAB9ASMN1; SMN2NPC1POLBKMT2A
SCHEMBL5312903 0.85 KMT2A (0.59) RAB9ASMN1; SMN2NPC1POLBKMT2A
SCHEMBL5314934 0.83 P2RY1 (0.40) RAB9ASMN1; SMN2NPC1POLBBLM
SCHEMBL5314935 0.83 P2RY1 (0.40) RAB9ASMN1; SMN2NPC1POLBBLM
SCHEMBL5309894 0.80 PLA2G4B (0.50) SMN1; SMN2KMT2APLA2G4BFABP1ALDH1A1
SCHEMBL5309885 0.80 PLA2G4B (0.50) SMN1; SMN2KMT2APLA2G4BFABP1ALDH1A1
SCHEMBL5315056 0.79 PLA2G4B (0.49) RAB9ASMN1; SMN2NPC1KMT2APLA2G4B

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