SCHEMBL3674938

SCHEMBL3674938

C=C(C)C(=O)SCCSc1ccc(S(=O)(=O)c2ccc(SCCSC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA7 P43166 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
PKM P14618 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL1462713 0.78 CA2 (0.40) CA2CA12CA1CA7CA13
SCHEMBL14351355 0.77 PKM (0.43) PKMMAPTPOLBCYP2C19ATM
SCHEMBL3674803 0.77 CA2 (0.41) CA2CA12CA1CA7CA13
SCHEMBL3128747 0.76 CA2 (0.36) CA2CA12CA1CA7CA13
SCHEMBL14915903 0.75 ALDH1A1 (0.39) CA2CA12CA1CA7CA13
SCHEMBL810993 0.74 CA2 (0.37) CA2CA12CA1CA7CA13
SCHEMBL4860520 0.74 PPARD (0.33) PKMALDH1A1LMNA
SCHEMBL13696518 0.73 CA2 (0.49) CA2CA12CA1CA7CA13
SCHEMBL714832 0.72 TDP1 (0.38) POLBCYP2C19ATMALDH1A1TSHR
SCHEMBL26193082 0.71 MTNR1A (0.37) PKMCYP2C19ALDH1A1LMNAMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344094-B2 Optical material and optical element CANON KABUSHIKI KAISHA (JP) 2013-01-01 US disclosed
EP-2484721-A1 Organic-inorganic composite resin composition, organic-inorganic composite resin material, optical element, and stacked diffraction optical element CANON KABUSHIKI KAISHA (JP) 2012-08-08 EP disclosed
US-20100076106-A1 OPTICAL MATERIAL AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2010-03-25 US disclosed