SCHEMBL11189755

SCHEMBL11189755

O=C(O)Oc1ccccc1C(Cc1ccc(CCc2ccccc2)cc1)OC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.46
▸ PPARA Q07869 4/20 0.46
▸ FFAR1 O14842 3/20 0.45
▸ PTGS2 P35354 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ SRR Q9GZT4 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ TRPV1 Q8NER1 1/20 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
SCHEMBL15899321 0.84 CYP2D6 (0.42) PPARGPPARAPTGS2CYP1A2SRR
SCHEMBL15899596 0.81 PPARG (0.41) PPARGPPARAFFAR1
SCHEMBL15899310 0.79 MAPT (0.38) PPARGPPARAPTGS2CYP1A2
SCHEMBL15899456 0.79 TSHR (0.38) PPARGPPARA
SCHEMBL15899313 0.77 MEN1 (0.40) PPARGPPARAPTGS2
SCHEMBL15899559 0.76 TSHR (0.39) PPARGPPARA
SCHEMBL8585344 0.76 ABCB1 (0.52) PTGS2
SCHEMBL1840846 0.75 POLB (0.44) PPARGPPARACYP1A2SRR
SCHEMBL1840193 0.74 PPARG (0.44) PPARGPPARACYP1A2SRR
SCHEMBL1835775 0.73 PPARA (0.47) PPARGPPARACYP1A2

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
EP-0090196-A1 Process for preparing dibenzyl-2-carboxylic acids and 3-substituted phthalides, as well as the resultant benzyl derivatives HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1983-10-05 — — EP claimed
EP-0090196-A1 Process for preparing dibenzyl-2-carboxylic acids and 3-substituted phthalides, as well as the resultant benzyl derivatives HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1983-10-05 — — EP disclosed
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