SCHEMBL3968804

SCHEMBL3968804

OCCSc1ccc2ccc(SCCO)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
ANPEP P15144 1/20 0.39
BACE1 P56817 2/20 0.39
CYP3A4 P08684 3/20 0.36
CNR2 P34972 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8638604 0.93 CA2 (0.48) CA2CA12CA1CA7CA13
SCHEMBL3894693 0.89 ANPEP (0.51) CA2CA12CA1CA7CA13
SCHEMBL38658329 0.89 ANPEP (0.51) CA2CA12CA1CA7CA13
SCHEMBL9365248 0.87 CA2 (0.46) CA2CA12CA1CA7CA13
SCHEMBL8637757 0.82 CA2 (0.61) CA2CA12CA1CA7CA13
SCHEMBL7018220 0.81 CYP2A6 (0.43) CA2CA12CA1CA7CA13
SCHEMBL9737539 0.78 S100A4 (0.45) CA2CA12CA1CA7CA13
SCHEMBL10035840 0.78 ALDH1A1 (0.46) CA2CA12CA1CA7CA13
SCHEMBL10410234 0.76 CDK1 (0.45) CA2CA12CA1CA7CA13
SCHEMBL4995317 0.76 BACE1 (0.54) CA2ANPEPBACE1CYP3A4CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831728-B1 DISPLAYS HAVING A HIGH REFRACTIVE INDEX, DURABLE HARDCOAT LAYER 3M INNOVATIVE PROPERTIES CO (US) 2009-07-29 EP disclosed
EP-1831728-B1 DISPLAYS HAVING A HIGH REFRACTIVE INDEX, DURABLE HARDCOAT LAYER 3M INNOVATIVE PROPERTIES CO (US) 2009-07-29 EP disclosed
US-7491441-B2 High refractive index, durable hard coats 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-02-17 US disclosed
US-7491441-B2 High refractive index, durable hard coats 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-02-17 US disclosed
US-7491441-B2 High refractive index, durable hard coats 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-02-17 US disclosed
EP-1831728-A2 HIGH REFRACTIVE INDEX, DURABLE HARD COATS 3M Innovative Properties Company (US) 2007-09-12 EP disclosed
WO-2006073773-A2 HIGH REFRACTIVE INDEX, DURABLE HARD COATS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO disclosed
US-20060147702-A1 High refractive index, durable hard coats 3M INNOVATIVE PROPERTIES COMPANY 2006-07-06 US disclosed