SCHEMBL4137336

SCHEMBL4137336

C=COCCCOc1ccc(S(=O)(=O)c2ccc(OCCCOC=C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 6/20 0.45
CA7 P43166 3/20 0.45
TSHR P16473 3/20 0.45
CA4 P22748 3/20 0.43
PKM P14618 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
HRH3 Q9Y5N1 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNH2 Q12809 2/20 0.40
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 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
SCHEMBL4131884 0.91 ALDH1A1 (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL26312609 0.81 FURIN (0.42) ALDH1A1LMNAL3MBTL1MAPTHTT
SCHEMBL4868644 0.78 TDP1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL4355604 0.78 CA12 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL939924 0.78 CA12 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL372732 0.78 THRB (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL372731 0.78 THRB (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL26312610 0.77 KCNA3 (0.44) ALDH1A1GAAHRH3L3MBTL1KCNH2
SCHEMBL939926 0.77 TDP1 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL4355608 0.77 TDP1 (0.44) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090068569-A1 Resin composition for hologram recording material, hologram recording material, and method for producing hologram recording medium NIPPON PAINT CO., LTD. 2009-03-12 US disclosed