SCHEMBL5158934

SCHEMBL5158934

CS(=O)(=O)OCC(OC1CCCCO1)c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
PTPN1 P18031 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A3 Q01959 8/20 0.32
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL5157375 0.89 MEN1 (0.34) MEN1KMT2ASLC6A3
SCHEMBL5153999 0.88 SMN1; SMN2 (0.34) SLC6A3PTGER4
SCHEMBL5154394 0.88 SLC6A3 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL5154401 0.88 SLC6A3 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL5154408 0.88 SLC6A3 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL5154407 0.88 SLC6A3 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL5159871 0.87 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL5157296 0.87 OPRD1 (0.36) CA12CA1CA2CA9PTPN1
SCHEMBL5154654 0.86 PTGDR (0.32) KMT2APTGER4
SCHEMBL7266212 0.86 GAA (0.35) CA12CA1CA2CA9MEN1

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
EP-1236714-B1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE MITSUBISHI RAYON CO (JP) 2007-01-17 EP disclosed
US-6642395-B1 Esterifying mandelic acid derivative; protecting hydroxyl group and reducing ester; sulfonating and epoxidizing MITSUBISHI RAYON CO., LTD. (JP) 2003-11-04 US disclosed
EP-1236714-A1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2002-09-04 EP disclosed