SCHEMBL6631347

SCHEMBL6631347

O=C(O)c1[c]ccc(C(=O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.45
SELP P16109 1/20 0.45
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALB P02768 1/20 0.41
MMP2 P08253 1/20 0.41
LDHA P00338 1/20 0.38
HNF4A P41235 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
HMGB1 P09429 2/20 0.37
CA4 P22748 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
SCHEMBL3837541 0.80 SELL (0.46) SELLSELPALDH1A1HPGDKDM4E
SCHEMBL3837543 0.80 SELL (0.41) SELLSELPALDH1A1HPGDKDM4E
SCHEMBL2779285 0.78 ALDH1A1 (0.37) SELLSELPALDH1A1HPGDKDM4E
SCHEMBL8644706 0.77 KDM4E (0.38) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL8529933 0.72 ALDH1A1 (0.43) SELLSELPALDH1A1HPGDKDM4E
SCHEMBL160051 0.71 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10ALB
SCHEMBL176255 0.70 SELL (0.79) SELLSELPALDH1A1HPGDKDM4E
SCHEMBL9158798 0.70 TSHR (0.35) ALDH1A1ALOX15CYP1A2NAPRTTSHR
SCHEMBL29860525 0.70 SELL (0.79) SELLSELPALDH1A1HPGDKDM4E
SCHEMBL4278063 0.70 MCL1 (0.35) ALDH1A1HPGDKDM4EHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 CN disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 CN disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed