SCHEMBL8041238

SCHEMBL8041238

CCCCOc1ccc(Oc2ccc(N(C(C)=O)c3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.51
▸ PTPN11 Q06124 1/20 0.46
▸ PLK1 P53350 1/20 0.46
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ PTPRA P18433 1/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ PLA2G4B P0C869 1/20 0.42

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
SCHEMBL8039703 0.98 LTA4H (0.53) LTA4HPTPN11PLK1TP53TSHR
SCHEMBL8038284 0.93 ALDH1A1 (0.49) LTA4HPTPN1PPARA
SCHEMBL8037870 0.88 LTA4H (0.46) LTA4HPLK1TSHR
SCHEMBL8027754 0.86 ALDH1A1 (0.41) LTA4HTSHRPTPN1PPARA
SCHEMBL8037882 0.86 LTA4H (0.48) LTA4HPTPN11PLK1TP53TSHR
SCHEMBL6408806 0.86 ALOX5 (0.50) PTPN1PPARA
SCHEMBL8044214 0.85 SMN1; SMN2 (0.39) TSHRPTPN1PTPRA
SCHEMBL8041138 0.85 PPARA (0.39) TSHRPTPN1PPARA
SCHEMBL8041220 0.85 MTNR1A (0.41) TP53PTPN1
SCHEMBL8044308 0.84 PTPN1 (0.45) LTA4HTSHRPTPN1

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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