SCHEMBL2363947

SCHEMBL2363947

CC(c1ccccc1)S(=O)(=O)c1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 8/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
SRC P12931 2/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 4/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL11848869 0.71 HTR6 (0.44) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL3647611 0.71 ALOX15 (0.62) ALOX15ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL312933 0.71 LCK (0.47) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL9659714 0.70 ALOX15 (0.47) ALOX15ALDH1A1MAPTLMNAL3MBTL1
Phthalic Acid SCHEMBL28418540 0.70 ALDH1A1 (0.78) ALOX15ALDH1A1MAPTHDAC8KDM4E
Phthalic Acid SCHEMBL27790843 0.70 ALDH1A1 (0.61) ALOX15ALDH1A1MAPTLMNAL3MBTL1
Phthalic Acid SCHEMBL28043206 0.70 ALDH1A1 (0.61) ALOX15ALDH1A1MAPTLMNAHDAC8
SCHEMBL3707076 0.69 CA1 (0.55) ALOX15ALDH1A1MAPTHDAC8KDM4E
Isopropylbenzene SCHEMBL28108622 0.69 NOTUM (0.49) ALOX15ALDH1A1MAPTLMNAL3MBTL1
Phthalic Acid SCHEMBL20657016 0.69 AKR1C3 (0.50) ALOX15ALDH1A1LMNAKDM4EHPGD

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
EP-2349734-A1 AQUEOUS LASER-SENSITIVE COMPOSITION FOR MARKING SUBSTRATES DataLase Ltd (GB) 2011-08-03 EP disclosed
WO-2010049281-A1 AQUEOUS LASER-SENSITIVE COMPOSITION FOR MARKING SUBSTRATES BASF SE (DE) 2010-05-06 WO disclosed
EP-1480835-A1 HEAT SENSITIVE RECORDING MATERIAL Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
EP-1480836-A1 MIXTURE OF COLOUR DEVELOPERS Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
WO-2003074285-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
WO-2003074284-A1 MIXTURE OF COLOUR DEVELOPERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed