SCHEMBL7474110

SCHEMBL7474110

CCc1cccc(C(=O)OC(C)C)c1.O=S(=O)(O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
KAT6A Q92794 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42

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
SCHEMBL27405488 0.96 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL12143438 0.91 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL7467749 0.84 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL7471658 0.84 LOXL2 (0.62) RAB9ASMN1; SMN2MAPTCA12CA1
SCHEMBL7475357 0.84 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL7468235 0.82 ELANE (0.52) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL7473301 0.82 CYP4F2 (0.61) NPC1RAB9ASMN1; SMN2MAPTCA12
SCHEMBL27920137 0.82 LOXL2 (0.47) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL1799441 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL7475311 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTHTT

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