SCHEMBL8749106

SCHEMBL8749106

CC(=O)C(=[N+]=[N-])C(=O)CCc1ccc(CCC(=O)C(=[N+]=[N-])C(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ PLAAT5 Q96KN8 4/20 0.42
▸ PLAAT4 Q9UL19 4/20 0.42
▸ PLAAT3 P53816 3/20 0.42
▸ PLAAT2 Q9NWW9 3/20 0.42
▸ FFAR1 O14842 5/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9404036 0.93 ALDH1A1 (0.56) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL9403990 0.89 ALDH1A1 (0.44) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL9404013 0.88 ALDH1A1 (0.43) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL9404007 0.88 CA2 (0.60) ALDH1A1CA1CA2HSD17B10
Potassium Ion SCHEMBL9404012 0.88 ALDH1A1 (0.43) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL9404000 0.88 ALDH1A1 (0.47) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
Ammonia Solution, Strong SCHEMBL9403982 0.88 ALDH1A1 (0.43) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL9403998 0.85 ALDH1A1 (0.42) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL8748624 0.84 PLAAT3 (0.49) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL9403978 0.83 ALDH1A1 (0.43) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2

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
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