SCHEMBL8748832

SCHEMBL8748832

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
ALDH1A1 P00352 2/20 0.52
FFAR1 O14842 2/20 0.52
PLAAT5 Q96KN8 5/20 0.51
PLAAT4 Q9UL19 5/20 0.51
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL26657 0.93 PLAAT5 (0.53) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL9404044 0.92 ALDH1A1 (0.49) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL9404036 0.91 ALDH1A1 (0.56) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL9404020 0.89 HDAC1 (0.58) KEAP1ALDH1A1PLAAT5PLAAT4HDAC2
SCHEMBL9404057 0.86 MAPT (0.61) PLAAT5PLAAT4HDAC2HDAC8HDAC6
SCHEMBL8749106 0.83 ALDH1A1 (0.46) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL27692712 0.82 KEAP1 (0.41) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL9403974 0.81 PLAAT3 (0.57) ALDH1A1FFAR1PLAAT5PLAAT4HDAC2
SCHEMBL8748624 0.81 PLAAT3 (0.49) ALDH1A1FFAR1PLAAT5PLAAT4TDP1
SCHEMBL4279627 0.81 KEAP1 (0.73) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4

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 7 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-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-0552548-A1 Resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed
EP-0323050-A2 Photosensitive compound WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1989-07-05 EP disclosed
EP-0319325-A2 Photosensitive material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-07 EP disclosed