SCHEMBL4756900

SCHEMBL4756900

COCCNC(=O)c1cc(C=O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.46
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
MAPK1 P28482 1/20 0.46
CA2 P00918 2/20 0.45
NAAA Q02083 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL4757728 0.84 ALDH1A1 (0.55) HPGDALDH1A1TRIM24ALDH5A1ABAT
SCHEMBL7200199 0.82 NAAA (0.68) HPGDALDH1A1NAAAPTGS2HTT
SCHEMBL14028745 0.81 NAAA (0.44) HPGDALDH1A1TDP1NAAAPTGS2
SCHEMBL14028746 0.81 NAAA (0.56) ALDH1A1NAAAPTGS2CDK1
SCHEMBL30107654 0.80 ACHE (0.47) ALDH1A1CA2NAAACA12CA1
SCHEMBL13313915 0.80 ACHE (0.47) ALDH1A1CA2NAAACA12CA1
SCHEMBL4755030 0.79 HPGD (0.43) HPGDALDH1A1MAPK1CA2CA12
SCHEMBL16864511 0.78 MAOA (0.51) HPGDALDH1A1TRIM24ALDH5A1ABAT
SCHEMBL4757661 0.78 MEN1 (0.51) HPGDALDH1A1TRIM24ALDH5A1ABAT
SCHEMBL4757867 0.78 MEN1 (0.48) HPGDALDH1A1MAPK1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed