SCHEMBL14602138

SCHEMBL14602138

CC(=O)C(C)(C)Oc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ PPARD Q03181 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SLC22A12 Q96S37 1/20 0.45
▸ PARP15 Q460N3 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ IL18 Q14116 1/20 0.44
▸ MMP2 P08253 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL4700424 0.86 PPARA (0.64) PPARAMAPTPPARDALDH1A1SLC22A12
SCHEMBL22884963 0.84 PPARA (0.55) PPARAMAPTPPARDALDH1A1SLC22A12
SCHEMBL14468109 0.83 PPARA (0.50) PPARAMAPTPPARDALDH1A1SLC22A12
SCHEMBL1417805 0.80 PPARA (0.49) PPARAMAPTPPARDALDH1A1SLC22A12
SCHEMBL4692295 0.79 PPARA (0.66) PPARAMAPTPPARDALDH1A1RAB9A
SCHEMBL16580097 0.77 LMNA (0.52) PPARAMAPTPPARDALDH1A1SLC22A12
SCHEMBL15460016 0.77 MAPT (0.48) PPARAMAPTPPARDALDH1A1PARP10
SCHEMBL22705635 0.77 ALDH1A1 (0.49) PPARAMAPTPPARDALDH1A1RAB9A
SCHEMBL435736 0.77 KIF11 (0.47) PPARAMAPTPPARDALDH1A1PARP15
SCHEMBL9372364 0.76 PPARA (0.72) PPARAMAPTPPARDALDH1A1SLC22A12

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-7157479-B2 Oxazol/thiazol-derivatives activators of the hPPAR-alpha receptor GLAXO GROUP LIMITED (GB) 2007-01-02 — — US disclosed
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