SCHEMBL5311834

SCHEMBL5311834

CCCON=C(COc1cccc(C(=O)O)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ NR4A2 P43354 2/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ PLA2G4B P0C869 2/20 0.42
▸ PTPN1 P18031 3/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HAVCR2 Q8TDQ0 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL5311831 1.00 MAPT (0.47) MAPTSMN1; SMN2TP53KMT2ANR4A2
SCHEMBL5313691 0.91 MAPT (0.45) MAPTSMN1; SMN2TP53KMT2AMRGPRX4
SCHEMBL5313697 0.91 MAPT (0.45) MAPTSMN1; SMN2TP53KMT2AMRGPRX4
SCHEMBL5314642 0.91 RAB9A (0.49) MAPTSMN1; SMN2TP53KMT2ANR4A2
SCHEMBL5314639 0.91 RAB9A (0.49) MAPTSMN1; SMN2TP53KMT2ANR4A2
SCHEMBL14530969 0.89 RAB9A (0.45) MAPTSMN1; SMN2TP53KMT2ANPC1
SCHEMBL5310753 0.88 PTPN1 (0.39) MAPTSMN1; SMN2TP53KMT2APTPN1
SCHEMBL5310760 0.88 PTPN1 (0.39) MAPTSMN1; SMN2TP53KMT2APTPN1
SCHEMBL5312756 0.88 PLA2G4B (0.50) MAPTSMN1; SMN2TP53KMT2ANR4A2
SCHEMBL5312757 0.88 PLA2G4B (0.50) MAPTSMN1; SMN2TP53KMT2ANR4A2

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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