SCHEMBL5314639

SCHEMBL5314639

CCCO/N=C(\COc1cccc(C(=O)O)c1)c1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ NR4A2 P43354 3/20 0.45
▸ PLA2G4B P0C869 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PTPN1 P18031 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ SMPD1 P17405 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ NR4A3 Q92570 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39

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
SCHEMBL5314642 1.00 RAB9A (0.49) RAB9AMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL5313667 0.91 MAPT (0.48) RAB9AMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL5313664 0.91 MAPT (0.48) RAB9AMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL5311834 0.91 MAPT (0.47) RAB9AMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL5311831 0.91 MAPT (0.47) RAB9AMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL5312756 0.88 PLA2G4B (0.50) MAPTSMN1; SMN2TP53KMT2ANR4A2
SCHEMBL5312757 0.88 PLA2G4B (0.50) MAPTSMN1; SMN2TP53KMT2ANR4A2
SCHEMBL5313691 0.83 MAPT (0.45) RAB9AMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL5313697 0.83 MAPT (0.45) RAB9AMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL5333454 0.81 KMT2A (0.47) MAPTTP53KMT2ANR4A2PLA2G4B

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
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