SCHEMBL8749208

SCHEMBL8749208

[N-]=[N+]=C(Cc1ccccc1)C(=O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PLAAT5 Q96KN8 3/20 0.47
PLAAT4 Q9UL19 3/20 0.47
FFAR1 O14842 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
AKR1B1 P15121 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 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
SCHEMBL8749134 0.83 L3MBTL1 (0.51) ALDH1A1PLAAT5PLAAT4FFAR1TDP1
SCHEMBL27505860 0.82 KEAP1 (0.46) KEAP1ALDH1A1PLAAT5PLAAT4FFAR1
SCHEMBL16401709 0.80 KEAP1 (0.55) KEAP1ALDH1A1PLAAT5PLAAT4FFAR1
SCHEMBL8748832 0.80 KEAP1 (0.55) KEAP1ALDH1A1CES2CES1PLAAT5
SCHEMBL8749091 0.80 F2RL1 (0.54) ALDH1A1PLAAT5PLAAT4FFAR1SMN1; SMN2
SCHEMBL1473346 0.80 CES1 (0.52) ALDH1A1CES2CES1FFAR1L3MBTL1
SCHEMBL6629478 0.77 CES2 (0.74) KEAP1ALDH1A1CES2CES1PLAAT5
SCHEMBL26657 0.77 PLAAT5 (0.53) KEAP1ALDH1A1PLAAT5PLAAT4FFAR1
SCHEMBL4279627 0.77 KEAP1 (0.73) KEAP1ALDH1A1CES2CES1PLAAT5
SCHEMBL21758207 0.77 HIF1A (0.49) ALDH1A1CES2CES1FFAR1L3MBTL1

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