SCHEMBL5316162

SCHEMBL5316162

CCCON=C(COc1cc(C(=O)O)cc(C(=O)OCC)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.38
▸ MAPT P10636 6/20 0.37
▸ LMNA P02545 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ BRD2 P25440 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ GCGR P47871 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL5310815 0.93 PTPN1 (0.40) PTPN1MAPTLMNAPPARGPPARA
SCHEMBL5310820 0.93 PTPN1 (0.40) PTPN1MAPTLMNAPPARGPPARA
SCHEMBL5316159 0.89 MAPT (0.41) PTPN1MAPTLMNAPPARGPPARA
SCHEMBL5316156 0.89 MAPT (0.41) PTPN1MAPTLMNAPPARGPPARA
SCHEMBL5310760 0.88 PTPN1 (0.39) PTPN1MAPTLMNAPPARGPPARA
SCHEMBL5310753 0.88 PTPN1 (0.39) PTPN1MAPTLMNAPPARGPPARA
SCHEMBL14530962 0.87 PTPN1 (0.40) PTPN1MAPTLMNAPPARGPPARA
SCHEMBL5316141 0.87 PTPN1 (0.38) PTPN1MAPTLMNAPPARGPPARA
SCHEMBL5316148 0.87 PTPN1 (0.38) PTPN1MAPTLMNAPPARGPPARA
SCHEMBL5311834 0.86 MAPT (0.47) PTPN1MAPTPPARGPPARASMN1; SMN2

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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