SCHEMBL5314039

SCHEMBL5314039

CCCON=C(COc1ccccc1C(=O)O)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ LTB4R Q15722 5/20 0.39
▸ LTB4R2 Q9NPC1 5/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ PTPN1 P18031 3/20 0.39
▸ PTPN11 Q06124 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ METTL3 Q86U44 1/20 0.38
▸ METTL14 Q9HCE5 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
SCHEMBL5314031 1.00 MEN1 (0.41) MEN1ALDH1A1KMT2AMAPTLTB4R
SCHEMBL14530972 0.91 PDE10A (0.43) MEN1ALDH1A1KMT2AMAPTPPARG
SCHEMBL5310846 0.91 PDE10A (0.43) MEN1ALDH1A1KMT2AMAPTPPARG
SCHEMBL5311809 0.88 MEN1 (0.40) MEN1ALDH1A1KMT2AMAPTLTB4R
SCHEMBL5311812 0.88 MEN1 (0.40) MEN1ALDH1A1KMT2AMAPTLTB4R
SCHEMBL5331968 0.87 MAPT (0.39) MEN1ALDH1A1KMT2AMAPTPPARG
SCHEMBL5316012 0.87 PTPN11 (0.42) MEN1ALDH1A1KMT2AMAPTPPARG
SCHEMBL5316013 0.87 PTPN11 (0.42) MEN1ALDH1A1KMT2AMAPTPPARG
SCHEMBL5331961 0.87 MAPT (0.39) MEN1ALDH1A1KMT2AMAPTPPARG
SCHEMBL14530969 0.87 RAB9A (0.45) MEN1ALDH1A1KMT2AMAPTPPARG

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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