SCHEMBL8768516

SCHEMBL8768516

COC(=O)COc1cc(O)ccc1NC(=O)CCc1cccc(OCCCCOc2ccccc2)c1.O=C(O)CCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 12/20 0.52
▸ HPGD P15428 1/20 0.46
▸ FFAR4 Q5NUL3 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 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
SCHEMBL8422415 0.95 HPGD (0.48) FFAR1HPGDGAAMEN1KMT2A
SCHEMBL8768505 0.85 FFAR1 (0.44) FFAR1FFAR4MEN1KMT2APPARG
SCHEMBL8768533 0.84 ALDH1A1 (0.51) HPGDGAAMEN1KMT2A
SCHEMBL8422409 0.82 PPARD (0.53) HPGDMEN1KMT2APPARD
SCHEMBL8420643 0.79 POLB (0.51) FFAR1HPGDGAAMEN1KMT2A
SCHEMBL8767951 0.77 HTT (0.53) FFAR1HPGDMEN1KMT2APPARA
SCHEMBL8422412 0.75 MEN1 (0.48) HPGDMEN1KMT2A
SCHEMBL8358608 0.75 FFAR1 (0.56) FFAR1FFAR4GAAMEN1KMT2A
Phenyl Propionic Acid SCHEMBL28554549 0.74 FFAR1 (0.60) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL8767361 0.74 FFAR1 (0.45) FFAR1HPGDFFAR4ITGB3ITGA2B

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-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 — — EP disclosed
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