SCHEMBL8075260

SCHEMBL8075260

CC(C)(C)NN(Cc1ccsc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.40
HSD11B1 P28845 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
FFAR1 O14842 2/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MME P08473 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL3323146 0.80 AKT1 (0.50) RAB9ANPC1KMT2A
SCHEMBL6235763 0.73 RIPK1 (0.50) HSD11B1TRPM8TDP1
SCHEMBL8064136 0.73 ALOX5 (0.46) HCAR3TRPM8RAB9ANPC1CHRM2
SCHEMBL8337464 0.72 GAA (0.43) KMT2A
SCHEMBL12265806 0.70 HSD11B1 (0.52) HCAR3HSD11B1HCAR2TRPM8RAB9A
SCHEMBL12810929 0.69 LTA4H (0.45) HCAR3HSD11B1HCAR2TRPM8KDM4C
SCHEMBL12669758 0.68 RAB9A (0.54) RAB9ANPC1TDP1KMT2A
SCHEMBL976949 0.68 DRD2 (0.49) HCAR3HSD11B1HCAR2OPRM1OPRD1
SCHEMBL23032133 0.68 TRPM8 (0.53) HCAR3HSD11B1HCAR2OPRD1TRPM8
Methyl Alcohol SCHEMBL11612623 0.68 TDP1 (0.49) RAB9ANPC1TDP1KMT2ASLC1A3

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-6103721-A TREATMENT OF STROKE ANOXIA; ANTIHYPERGLYCEMIC,-ISCHEMIC AND -EPILEPTIC AGENTS ZENECA LIMITED (GB) 2000-08-15 US disclosed