SCHEMBL8637757

SCHEMBL8637757

OCCSc1ccc(SCCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA7 P43166 1/20 0.61
CA13 Q8N1Q1 1/20 0.61
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 3/20 0.43
S100A4 P26447 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CDC25A P30304 2/20 0.43
CDC25B P30305 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
APAF1 O14727 1/20 0.43
MAP2K7 O14733 1/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
TDP2 O95551 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
SCHEMBL3900894 0.92 CA2 (0.55) CA2CA12CA1CA7CA13
SCHEMBL8529367 0.92 CA2 (0.55) CA2CA12CA1CA7CA13
SCHEMBL2589711 0.89 CA2 (0.53) CA2CA12CA1CA7CA13
SCHEMBL9712031 0.87 CA2 (0.52) CA2CA12CA1CA7CA13
SCHEMBL5256127 0.87 CA2 (0.52) CA2CA12CA1CA7CA13
SCHEMBL7997051 0.87 CA2 (0.52) CA2CA12CA1CA7CA13
SCHEMBL698739 0.87 KDM4E (0.56) CA2CA12CA1CA7CA13
SCHEMBL1710073 0.87 NPC1 (0.52) CA2CA12CA1CA7CA13
SCHEMBL7858651 0.87 CA2 (0.52) CA2CA12CA1CA7CA13
SCHEMBL10399503 0.87 CA2 (0.57) CA2CA12CA1CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799267-B1 NAPHTALENEDICARBOXYLIC ACID POLYMERS CONTAINING ARYL THIOETHERS AND HAVING REDUCED FLUORESCENCE EASTMAN CHEM CO (US) 1998-08-05 EP disclosed
EP-0799267-A1 NAPHTALENEDICARBOXYLIC ACID POLYMERS CONTAINING ARYL THIOETHERS AND HAVING REDUCED FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 1997-10-08 EP disclosed
US-5554720-A Naphthalenedicarboxylic acid polymers containing aryl thioethers and having reduced fluorescene EASTMAN CHEMICAL COMPANY (US) 1996-09-10 US disclosed
WO-1996019517-A1 NAPHTALENEDICARBOXYLIC ACID POLYMERS CONTAINING ARYL THIOETHERS AND HAVING REDUCED FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 1996-06-27 WO disclosed
US-4303773-A CHAIN EXTENSION USING ALKYL- SUBSTITUTED DIPHENYLMETHANE DIAMINES BAYER AKTIENGESELLSCHAFT (DE) 1981-12-01 US disclosed