SCHEMBL2363948

SCHEMBL2363948

O=C(O)c1cccc(C(=O)O)c1S(=O)(=O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
CA12 O43570 4/20 0.51
CA2 P00918 4/20 0.51
CA1 P00915 3/20 0.51
CA7 P43166 3/20 0.51
CA13 Q8N1Q1 3/20 0.51
ALOX15 P16050 2/20 0.46
ACLY P53396 1/20 0.46
CA9 Q16790 3/20 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
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MMP12 P39900 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 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
SCHEMBL3642592 0.76 ALOX15 (0.58) SMN1; SMN2TSHRCA12CA2CA1
Phthalic Acid SCHEMBL4430760 0.75 ALDH1A1 (0.70) SMN1; SMN2TSHRCA12CA2CA1
SCHEMBL10054968 0.72 ACLY (0.71) ACLYALDH1A1MMP12MMP13MMP1
SCHEMBL27331130 0.72 ALDH1A1 (0.52) SMN1; SMN2TSHRCA12CA2CA1
SCHEMBL3241520 0.71 LOX (0.54) CA12CA2CA1CA7CA13
SCHEMBL812165 0.71 ALOX15 (0.57) SMN1; SMN2TSHRCA12CA2CA1
SCHEMBL15056487 0.71 AKR1C3 (0.51) TSHRCA12CA2CA1CA7
SCHEMBL8647436 0.71 G6PD (0.57) SMN1; SMN2TSHRALOX15ALDH1A1MCL1
Phthalic Acid SCHEMBL27790843 0.70 ALDH1A1 (0.61) SMN1; SMN2TSHRCA12CA2CA1
Phthalic Acid SCHEMBL28192884 0.70 TDP1 (0.70) SMN1; SMN2TSHRALOX15ALDH1A1NPC1

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