SCHEMBL7868847

SCHEMBL7868847

CC(C)(C)OC(=O)CC[S+]([O-])c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGES O14684 1/20 0.36
PTPN11 Q06124 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HNF4A P41235 1/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL28859014 0.88 MTNR1A (0.36) NPC1HTTRAB9A
SCHEMBL28501343 0.81 HDAC8 (0.34) NPC1RAB9A
SCHEMBL7862197 0.81 FFAR1 (0.54) FFAR1FFAR4HNF4A
SCHEMBL8130559 0.80 TSHR (0.43) FFAR1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL28510605 0.80 GAA (0.39)
SCHEMBL28955975 0.80 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL28507196 0.80 NPC1 (0.37) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL28510612 0.79 ELANE (0.38) HTT
SCHEMBL29039867 0.79 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL7874063 0.78 NPC1 (0.45) NPC1HTTRAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed