SCHEMBL5334200

SCHEMBL5334200

CCCO/N=C(\COc1cc(COC(C)C)cc(C(=O)O)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.38
▸ MAPT P10636 4/20 0.37
▸ CSGALNACT1 Q8TDX6 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PPARA Q07869 5/20 0.36
▸ PPARG P37231 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL5334207 1.00 PTPN1 (0.38) PTPN1MAPTCSGALNACT1KMT2AMEN1
SCHEMBL14530962 0.90 PTPN1 (0.40) PTPN1MAPTCSGALNACT1KMT2AMEN1
SCHEMBL5310760 0.90 PTPN1 (0.39) PTPN1MAPTCSGALNACT1KMT2AMEN1
SCHEMBL5310753 0.90 PTPN1 (0.39) PTPN1MAPTCSGALNACT1KMT2AMEN1
SCHEMBL5310815 0.85 PTPN1 (0.40) PTPN1MAPTCSGALNACT1KMT2AMEN1
SCHEMBL5310820 0.85 PTPN1 (0.40) PTPN1MAPTCSGALNACT1KMT2AMEN1
SCHEMBL5316141 0.85 PTPN1 (0.38) PTPN1MAPTKMT2AMEN1ALDH1A1
SCHEMBL5316148 0.85 PTPN1 (0.38) PTPN1MAPTKMT2AMEN1ALDH1A1
SCHEMBL5316162 0.85 PTPN1 (0.38) PTPN1MAPTKMT2AMEN1ALDH1A1
SCHEMBL5315014 0.85 SCN9A (0.42) PTPN1MAPTCSGALNACT1KMT2AMEN1

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 2 patents. 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
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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