SCHEMBL5312855

SCHEMBL5312855

CCCON=C(COc1cc(C(=O)O)c2ccccc2c1)c1cc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.41
▸ DHODH Q02127 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NR2E1 Q9Y466 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ TSPO P30536 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ EIF4A1 P60842 2/20 0.35
▸ CSGALNACT1 Q8TDX6 1/20 0.35

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
SCHEMBL5312854 1.00 PDE10A (0.41) PDE10ADHODHKDM4ESMN1; SMN2RAB9A
SCHEMBL5312851 0.92 PLA2G2A (0.41) PDE10ADHODHKDM4ESMN1; SMN2RAB9A
SCHEMBL5312846 0.92 PLA2G2A (0.41) PDE10ADHODHKDM4ESMN1; SMN2RAB9A
SCHEMBL5309702 0.91 PDE10A (0.43) PDE10ADHODHKDM4ESMN1; SMN2RAB9A
SCHEMBL5309698 0.91 PDE10A (0.43) PDE10ADHODHKDM4ESMN1; SMN2RAB9A
SCHEMBL5312224 0.84 PLA2G2A (0.42) PDE10AKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5312222 0.84 PLA2G2A (0.42) PDE10AKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5316174 0.83 PPARG (0.40) PDE10ADHODHKDM4ESMN1; SMN2RAB9A
SCHEMBL5312998 0.81 PLA2G4B (0.42) SMN1; SMN2PPARDCYP2C9CSGALNACT1TP53
SCHEMBL5312997 0.81 PLA2G4B (0.42) SMN1; SMN2PPARDCYP2C9CSGALNACT1TP53

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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