SCHEMBL7419467

SCHEMBL7419467

O=C(O)[C@@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.55
▸ PPARA Q07869 3/20 0.55
▸ LTA4H P09960 2/20 0.55
▸ LAP3 P28838 1/20 0.55
▸ ALOX5 P09917 4/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ FFAR1 O14842 1/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ PPARD Q03181 1/20 0.50
▸ EPOR P19235 1/20 0.49
▸ BCHE P06276 1/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ NR4A3 Q92570 1/20 0.48

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
SCHEMBL7425407 1.00 PPARG (0.55) PPARGPPARALTA4HLAP3ALOX5
SCHEMBL7296822 0.86 CYP1A2 (0.48) PTGS1
SCHEMBL3803671 0.83 PPARG (0.59) PPARGPPARALTA4HLAP3ALOX5
SCHEMBL8382278 0.82 BCHE (0.48) PPARGPPARALTA4HLAP3ALOX5
SCHEMBL3105737 0.79 LTA4H (0.46) PPARGPPARALTA4HLAP3ALOX5
SCHEMBL2443383 0.79 LTA4H (0.55) PPARGPPARALTA4HLAP3ALOX5
SCHEMBL5811902 0.79 LTA4H (0.80) PPARGPPARALTA4HLAP3FFAR1
SCHEMBL2438787 0.78 LTA4H (0.60) PPARGPPARALTA4HLAP3ALOX5
SCHEMBL1069493 0.78 PPARG (0.67) PPARGPPARALTA4HLAP3PTGS1
SCHEMBL2164145 0.78 PPARG (0.67) PPARGPPARALTA4HLAP3PTGS1

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
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 — — WO disclosed
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