SCHEMBL5333457

SCHEMBL5333457

CCCON=C(COc1cccc(C(=O)O)c1)c1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ NR4A2 P43354 3/20 0.43
▸ PLA2G4B P0C869 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ NR4A1 P22736 1/20 0.39
▸ NR4A3 Q92570 1/20 0.39
▸ CETP P11597 1/20 0.39
▸ VDR P11473 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL5333454 1.00 KMT2A (0.47) KMT2APOLBKDM4ENR4A2PLA2G4B
SCHEMBL5329278 0.91 KMT2A (0.47) KMT2AKDM4ENR4A2PLA2G4BALDH1A1
SCHEMBL5329282 0.91 KMT2A (0.47) KMT2AKDM4ENR4A2PLA2G4BALDH1A1
SCHEMBL5814061 0.84 PPARG (0.46) POLBKDM4EPPARGPPARA
SCHEMBL5814066 0.84 PPARG (0.46) POLBKDM4EPPARGPPARA
SCHEMBL5815262 0.82 POLB (0.41) POLBKDM4EALDH1A1TSHRMAPK1
SCHEMBL5815263 0.82 POLB (0.41) POLBKDM4EALDH1A1TSHRMAPK1
SCHEMBL5314642 0.81 RAB9A (0.49) KMT2APOLBNR4A2PLA2G4BMEN1
SCHEMBL5314639 0.81 RAB9A (0.49) KMT2APOLBNR4A2PLA2G4BMEN1
SCHEMBL5815275 0.78 PPARG (0.48) POLBKDM4EPPARGPPARA

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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