SCHEMBL7467896

SCHEMBL7467896

COc1cccc(C(=O)OC(C)C)c1.O=S(=O)(O)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 2/20 0.50
PARP1 P09874 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
STS P08842 2/20 0.49
NPC1 O15118 7/20 0.48
RAB9A P51151 6/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL8459413 0.91 CES2 (0.62) ELANECES2CES1SMN1; SMN2TP53
SCHEMBL7471955 0.86 RAB9A (0.49) ELANESMN1; SMN2NPC1RAB9AMAPT
Methyl 3-Methoxybenzoate SCHEMBL7469145 0.85 SMN1; SMN2 (0.62) ELANECES2CES1SMN1; SMN2TP53
SCHEMBL7471424 0.85 HDAC8 (0.52) ELANESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7475357 0.84 SMN1; SMN2 (0.51) SMN1; SMN2PARP1NPC1RAB9AMAPT
SCHEMBL7468235 0.82 ELANE (0.52) ELANESMN1; SMN2PARP1NPC1RAB9A
SCHEMBL7467749 0.81 SMN1; SMN2 (0.49) SMN1; SMN2PARP1NPC1RAB9AMAPT
SCHEMBL7475311 0.81 NPC1 (0.49) CES2CES1SMN1; SMN2PARP1ESR1
SCHEMBL27420028 0.81 SMN1; SMN2 (0.51) SMN1; SMN2PARP1NPC1RAB9AMAPT
SCHEMBL27427424 0.81 HDAC8 (0.53) SMN1; SMN2NPC1RAB9AMAPTHTT

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-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed