SCHEMBL6693079

SCHEMBL6693079

O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(C(=O)O)c12.[NaH]

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.93
ALDH1A1 P00352 5/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 2/20 0.48
SELL P14151 1/20 0.48
SELP P16109 1/20 0.48
TSHR P16473 3/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CASP1 P29466 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL29417502 0.97 CYP1A2 (1.00) CYP1A2ALDH1A1ALOX15HSD17B10SELL
SCHEMBL22122 0.97 CYP1A2 (1.00) CYP1A2ALDH1A1ALOX15HSD17B10SELL
Water SCHEMBL7231103 0.93 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
Lithium SCHEMBL30762268 0.93 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
SCHEMBL7737377 0.93 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
Lithium SCHEMBL30762269 0.93 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
Hydrochloric Acid SCHEMBL9860390 0.93 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
Water SCHEMBL714855 0.93 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
SCHEMBL268488 0.93 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
SCHEMBL31441233 0.93 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL

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
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO claimed
CN-101450896-A Method for preparing 1.4.5.8-naphthalenetetracarboxylic acid from carbamyl chloride LIAONING LIANGANG PIGMENT AND (CN) 2009-06-10 CN disclosed
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO disclosed
US-20040248029-A1 Lithographic printing plate system and method for manufacturing the plate system DIGITAL MIND S.R.L. 2004-12-09 US disclosed