SCHEMBL5156124

SCHEMBL5156124

CS(=O)(=O)OCC(OC1CCCCO1)c1cccc(N)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.34
PTGER4 P35408 1/20 0.33
DHFR P00374 1/20 0.32
SLC6A3 Q01959 2/20 0.32
FKBP1A P62942 2/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
FKBP4 Q02790 1/20 0.31
FKBP5 Q13451 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 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
SCHEMBL5173257 0.88 HPGD (0.33) PTGER4SLC6A3NPC1ALDH1A1RAB9A
SCHEMBL5154909 0.87 PTGER4 (0.42) ADRB3PTGER4SLC6A3
SCHEMBL5157695 0.87 PTGER4 (0.42) ADRB3PTGER4SLC6A3
SCHEMBL5160143 0.87 PTGER4 (0.42) ADRB3PTGER4SLC6A3
SCHEMBL5157133 0.87 PTGER4 (0.42) ADRB3PTGER4SLC6A3
SCHEMBL5157125 0.87 PTGER4 (0.42) ADRB3PTGER4SLC6A3
SCHEMBL5160153 0.87 PTGER4 (0.42) ADRB3PTGER4SLC6A3
SCHEMBL5157129 0.87 PTGER4 (0.42) ADRB3PTGER4SLC6A3
SCHEMBL5157296 0.87 OPRD1 (0.36) PTGER4SLC6A3CA1CA2ALDH1A1
SCHEMBL5154394 0.87 SLC6A3 (0.40) PTGER4SLC6A3CA1CA2PER2

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