SCHEMBL8041138

SCHEMBL8041138

CC(=O)N(c1ccc(Oc2ccc(OCC(C)(C)C)cc2)cc1)c1ccccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.39
▸ PTPN1 P18031 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NSD2 O96028 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ TSPO P30536 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PPARG P37231 2/20 0.37
▸ HCAR2 Q8TDS4 2/20 0.37

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
SCHEMBL8038284 0.87 ALDH1A1 (0.49) PPARAPTPN1SMN1; SMN2TSPO
SCHEMBL8041238 0.85 LTA4H (0.51) PPARAPTPN1TSHR
SCHEMBL6408806 0.85 ALOX5 (0.50) PPARAPTPN1TSPOPPARG
SCHEMBL8041220 0.84 MTNR1A (0.41) PTPN1SMN1; SMN2
SCHEMBL8039703 0.83 LTA4H (0.53) PTPN1TSHR
SCHEMBL8044308 0.83 PTPN1 (0.45) PTPN1SMN1; SMN2NSD2CASP3CASP7
SCHEMBL8044214 0.82 SMN1; SMN2 (0.39) PTPN1SMN1; SMN2NSD2CASP3CASP7
SCHEMBL8027754 0.81 ALDH1A1 (0.41) PPARAPTPN1SMN1; SMN2NSD2CASP3
SCHEMBL6407413 0.80 MEN1 (0.52) PTPN1NSD2CASP3CASP7CASP9
SCHEMBL8027747 0.80 ALDH1A1 (0.47) PTPN1TSPOMEN1TSHRKMT2A

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
EP-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 — — EP disclosed
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