SCHEMBL12432111

SCHEMBL12432111

CCCSc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC2A1 P11166 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL10528392 0.91 SLC2A1 (0.55) ALDH1A1MAPK1HPGDMAPTKDM4E
SCHEMBL2687199 0.88 HDAC1 (0.55) ALDH1A1MAPK1HPGDMAPTKDM4E
SCHEMBL575835 0.86 ALDH1A1 (0.70) ALDH1A1MAPK1HPGDMAPTKDM4E
SCHEMBL10528199 0.84 HDAC1 (0.56) ALDH1A1MAPK1MAPTNPSR1SLC2A1
SCHEMBL28010061 0.84 ALDH1A1 (0.67) ALDH1A1MAPK1HPGDMAPTKDM4E
Ammonia Solution, Strong SCHEMBL8909156 0.84 ALDH1A1 (0.67) ALDH1A1MAPK1HPGDMAPTKDM4E
Fluoride SCHEMBL945618 0.84 ALDH1A1 (0.67) ALDH1A1MAPK1HPGDMAPTKDM4E
Fluoride SCHEMBL27856295 0.84 ALDH1A1 (0.67) ALDH1A1MAPK1HPGDMAPTKDM4E
SCHEMBL13397872 0.83 CA12 (0.61) ALDH1A1MAPK1HPGDMAPTKDM4E
SCHEMBL22960673 0.82 RAB9A (0.51) ALDH1A1HPGDMAPTNPC1LMNA

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
US-7981944-B2 Mixture of acrylated esters; photoinitiators ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2011-07-19 US disclosed
US-7618141-B2 Polymerizable composition containing an odor masking agent and a perfume, an optical lens and a production method ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2009-11-17 US disclosed
US-20080013042-A1 Polymerizable Composition Containing An Odor Masking Agent And A Perfume, An Optical Lens And A Production Method ESSILOR INTERNATIONAL (FR) 2008-01-17 US disclosed
US-20070087123-A1 Photocurable adhesive composition and its use in the optical field ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2007-04-19 US disclosed
US-20070087123-A1 Photocurable adhesive composition and its use in the optical field ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2007-04-19 US disclosed