SCHEMBL5159871

SCHEMBL5159871

COc1ccc(C(COS(C)(=O)=O)OC2CCCCO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
CHRM2 P08172 6/20 0.36
CHRM1 P11229 3/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 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
SCHEMBL5157375 0.88 MEN1 (0.34) CHRM2CHRM1L3MBTL1MEN1KMT2A
SCHEMBL5153999 0.87 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2CHRM2CHRM1HTT
SCHEMBL5158934 0.87 CA12 (0.37) MEN1KMT2A
SCHEMBL5154407 0.87 SLC6A3 (0.40) HPGDLMNAMEN1KMT2A
SCHEMBL5154401 0.87 SLC6A3 (0.40) HPGDLMNAMEN1KMT2A
SCHEMBL5154408 0.87 SLC6A3 (0.40) HPGDLMNAMEN1KMT2A
SCHEMBL5154394 0.87 SLC6A3 (0.40) HPGDLMNAMEN1KMT2A
SCHEMBL7266216 0.86 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2LMNANPC1
SCHEMBL5154654 0.85 PTGDR (0.32) LMNAKMT2A
SCHEMBL5157717 0.84 CYP19A1 (0.36) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A

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