SCHEMBL5154407

SCHEMBL5154407

CS(=O)(=O)OCC(OC1CCCCO1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.40
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 3/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 2/20 0.33
PER2 O15055 2/20 0.33
CRY1 Q16526 2/20 0.33
CRY2 Q49AN0 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC6A2 P23975 1/20 0.33
PTGER4 P35408 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5154401 1.00 SLC6A3 (0.40) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL5154408 1.00 SLC6A3 (0.40) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL5154394 1.00 SLC6A3 (0.40) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL5157375 0.89 MEN1 (0.34) SLC6A3MEN1KMT2AGAA
SCHEMBL5158934 0.88 CA12 (0.37) SLC6A3MEN1KMT2APTGER4CA12
SCHEMBL5153999 0.88 SMN1; SMN2 (0.34) SLC6A3GAASLC6A2PTGER4
SCHEMBL5173257 0.88 HPGD (0.33) SLC6A3HPGDKDM4CLMNAPTGER4
SCHEMBL5159871 0.87 ALDH1A1 (0.37) MEN1KMT2AHPGDLMNA
SCHEMBL5160153 0.87 PTGER4 (0.42) SLC6A3MEN1KMT2ASLC6A2PTGER4
SCHEMBL5154909 0.87 PTGER4 (0.42) SLC6A3MEN1KMT2ASLC6A2PTGER4

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