SCHEMBL9404044

SCHEMBL9404044

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
KEAP1 Q14145 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PLAAT5 Q96KN8 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
FFAR1 O14842 1/20 0.44
HPGD P15428 1/20 0.44
HDAC3 O15379 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 1/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41

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
SCHEMBL8748832 0.92 KEAP1 (0.55) ALDH1A1KEAP1CES2CES1PLAAT5
SCHEMBL9404036 0.87 ALDH1A1 (0.56) ALDH1A1KEAP1PLAAT5PLAAT4FFAR1
SCHEMBL26657 0.85 PLAAT5 (0.53) ALDH1A1KEAP1PLAAT5PLAAT4FFAR1
SCHEMBL12950241 0.84 ALDH1A1 (0.61) ALDH1A1KEAP1CES2CES1PLAAT5
SCHEMBL9404020 0.81 HDAC1 (0.58) ALDH1A1KEAP1PLAAT5PLAAT4HDAC3
SCHEMBL9404011 0.81 ALDH1A1 (0.46) ALDH1A1PLAAT5PLAAT4MAPTPLAAT3
SCHEMBL8749106 0.80 ALDH1A1 (0.46) ALDH1A1KEAP1PLAAT5PLAAT4FFAR1
SCHEMBL9404057 0.79 MAPT (0.61) CES1PLAAT5PLAAT4HDAC3MAPT
SCHEMBL8748624 0.78 PLAAT3 (0.49) ALDH1A1PLAAT5PLAAT4FFAR1HPGD
SCHEMBL9403997 0.75 MAPT (0.56) ALDH1A1CES1PLAAT5PLAAT4HDAC3

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
EP-0323050-B1 Photosensitive compound WAKO PURE CHEM IND LTD (JP) 1994-11-02 EP disclosed
US-5250669-A Thermostability, photoresists WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
EP-0323050-A2 Photosensitive compound WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1989-07-05 EP disclosed