SCHEMBL865387

SCHEMBL865387

S=C(OCc1ccccc1)Sc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 4/20 0.41
HCAR2 Q8TDS4 1/20 0.41
IDO1 P14902 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
AGXT P21549 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11855841 0.78 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1KMT2ATSHR
SCHEMBL1267690 0.78 CA12 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL28961906 0.77 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1KMT2ATSHR
SCHEMBL14031523 0.77 ALDH1A1 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL3063093 0.77 CA12 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL26066765 0.77 ALDH1A1 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL2364066 0.76 CA12 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL1722105 0.74 CA12 (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL28218969 0.74 CA12 (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL29042085 0.74 CA12 (0.50) CA12CA1CA2CA9ALDH1A1

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-20120077928-A1 Polymerization using a diallylamine and a compound comprising a macromolecular chain comprising units derived from this amine RHODIA OPERATIONS (FR) 2012-03-29 US claimed
US-20100093929-A1 Polymerization Of Macromolecular Monomers Comprising Diallyamine Structual Units RHODIA OPERATIONS (FR) 2010-04-15 US claimed
US-20120077928-A1 Polymerization using a diallylamine and a compound comprising a macromolecular chain comprising units derived from this amine RHODIA OPERATIONS (FR) 2012-03-29 US disclosed
US-20110092634-A1 POLYMERIC MICROGEL COMPRISING CATIONIC UNITS RHODIA OPERATIONS (FR) 2011-04-21 US disclosed
US-20100093929-A1 Polymerization Of Macromolecular Monomers Comprising Diallyamine Structual Units RHODIA OPERATIONS (FR) 2010-04-15 US disclosed