SCHEMBL8749097

SCHEMBL8749097

CC(=O)C(Cc1cccc(C)c1)=[N+]=[N-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
MAOB P27338 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
MAPK8 P45983 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GLS O94925 1/20 0.39
IDO1 P14902 1/20 0.39
KCNQ2 O43526 1/20 0.39
MMP13 P45452 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL8749069 0.81 CES1 (0.48) CTBP2ALDH1A1L3MBTL1
SCHEMBL8748635 0.80 CTBP2 (0.43) CTBP2ALDH1A1L3MBTL1NPC1
SCHEMBL1699683 0.77 CTBP2 (0.59) CTBP2POLBALDH1A1PKMMAOB
SCHEMBL7073775 0.75 CTBP2 (0.61) CTBP2POLBALDH1A1PKMMAOB
SCHEMBL29635163 0.75 CTBP2 (0.61) CTBP2POLBALDH1A1PKMMAOB
SCHEMBL27284855 0.75 CTBP2 (0.53) CTBP2POLBALDH1A1PKMMAOB
SCHEMBL504093 0.73 CTBP2 (0.64) CTBP2POLBALDH1A1L3MBTL1NPC1
SCHEMBL1259064 0.73 CTBP2 (0.59) CTBP2POLBALDH1A1PKMMAOB
SCHEMBL29407189 0.73 CTBP2 (0.64) CTBP2POLBALDH1A1L3MBTL1NPC1
SCHEMBL2532630 0.73 CTBP2 (0.64) CTBP2POLBALDH1A1L3MBTL1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627006-A ALKENYLOXY-SUBSTITUTED POLYVINYLPHENOLS, PHOTOSENSITIVE ACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-06 US disclosed
EP-0552548-B1 Resist material WAKO PURE CHEM IND LTD (JP) 1997-03-19 EP disclosed
EP-0552548-A1 Resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed