SCHEMBL17229444

SCHEMBL17229444

C=CC(=O)OCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 2/20 0.47
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PTGS2 P35354 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAOB P27338 2/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ PPARG P37231 1/20 0.40

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
SCHEMBL16979299 0.88 THRB (0.49) PPARDALDH1A1PPARGTHRB
SCHEMBL14624909 0.88 PPARD (0.50) PPARDMAPTALDH1A1GAACRHBP
SCHEMBL15773881 0.86 MAPT (0.50) PPARDMAPTALDH1A1GAACRHBP
SCHEMBL26750219 0.82 THRB (0.55) PPARDMEN1KMT2ANPC1RAB9A
SCHEMBL17229442 0.81 PPARA (0.43) PPARDMEN1KMT2ANPC1RAB9A
SCHEMBL24293663 0.77 THRB (0.40) PPARDMEN1KMT2ANPC1RAB9A
SCHEMBL10119273 0.77 MMP14 (0.47) PPARDMEN1KMT2ANPC1RAB9A
SCHEMBL622489 0.77 MMP14 (0.47) PPARDMEN1KMT2ANPC1RAB9A
SCHEMBL18502206 0.77 ALDH1A1 (0.39) PPARDMEN1KMT2ANPC1RAB9A
SCHEMBL28690239 0.76 MAOB (0.61) MEN1KMT2ARAB9AMAPTALDH1A1

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-20150315012-A1 LIGHT DRIVEN LIQUID CRYSTAL ELASTOMER ACTUATOR ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-11-05 — — US disclosed
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