SCHEMBL8108539

SCHEMBL8108539

CC(C)(Oc1ccccc1CCNC(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.65
▸ PPARG P37231 3/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ FABP2 P12104 2/20 0.65
▸ PPARD Q03181 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ HIF1A Q16665 1/20 0.52
▸ TRPV1 Q8NER1 3/20 0.51
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ PTGDR2 Q9Y5Y4 2/20 0.48
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ SNCA P37840 1/20 0.46
▸ SLC22A12 Q96S37 1/20 0.46

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
SCHEMBL11569958 0.81 ALDH1A1 (0.51) PPARAPPARGALDH1A1FABP2PPARD
SCHEMBL12954039 0.79 TAAR1 (0.58) PPARAPPARGALDH1A1FABP2PPARD
Bezafibrate SCHEMBL16299 0.79 PPARA (1.00) PPARAPPARGALDH1A1FABP2PPARD
Bezafibrate SCHEMBL5077755 0.79 PPARA (1.00) PPARAPPARGALDH1A1FABP2PPARD
Bezafibrate SCHEMBL28565716 0.78 PPARA (0.98) PPARAPPARGALDH1A1FABP2PPARD
Bezafibrate SCHEMBL22364278 0.78 PPARA (0.98) PPARAPPARGALDH1A1FABP2PPARD
Bezafibrate SCHEMBL3088387 0.78 PPARA (0.98) PPARAPPARGALDH1A1FABP2PPARD
SCHEMBL14975400 0.77 NPC1 (0.61) PPARAPPARGALDH1A1FABP2PPARD
SCHEMBL11285273 0.76 PPARA (0.53) PPARAPPARGALDH1A1FABP2PPARD
SCHEMBL1010079 0.76 KMT2A (0.54) PPARAPPARGALDH1A1FABP2PPARD

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
US-6121299-A Modulating inflammation with cytochrome P-450 activators and inhibitors LOVELACE RESPIRATORY RESEARCH INSTITUTE (US) 2000-09-19 — — US disclosed
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