SCHEMBL6668635

SCHEMBL6668635

CCCCCCCCCCCCCCCCS(=O)(=O)Oc1c[c]ccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.41
ALPI P09923 5/20 0.41
LTA4H P09960 1/20 0.34
STS P08842 4/20 0.33
FAAH O00519 2/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
FUT7 Q11130 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6670364 1.00 ALPL (0.41) ALPLALPILTA4HSTSFAAH
SCHEMBL6671842 0.94 ALPL (0.39) ALPLALPILTA4HMMP9KMT2A
Water SCHEMBL27967566 0.83 KMT2A (0.49) ALPLALPILTA4HSTSMMP1
SCHEMBL21798 0.82 KMT2A (0.39) ALPLALPIMMP9KMT2A
SCHEMBL27421271 0.81 ALPL (0.44) ALPLALPISTSFAAHFUT7
SCHEMBL437856 0.81 KMT2A (0.50) ALPLALPILTA4HSTSMMP1
SCHEMBL11870866 0.81 KMT2A (0.50) ALPLALPILTA4HSTSMMP1
SCHEMBL886892 0.81 KMT2A (0.50) ALPLALPILTA4HSTSMMP1
SCHEMBL10424741 0.81 KMT2A (0.50) ALPLALPILTA4HSTSMMP1
SCHEMBL1403506 0.81 KMT2A (0.50) ALPLALPILTA4HSTSMMP1

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-1140515-B1 HEAT SENSITIVE RECORDING MATERIAL CIBA SC HOLDING AG (CH) 2004-09-15 EP disclosed
US-6624117-B1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US disclosed