SCHEMBL27788552

SCHEMBL27788552

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
PPARA Q07869 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
BLM P54132 2/20 0.40
FYN P06241 2/20 0.39
LCK P06239 1/20 0.39
DAO P14920 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGS2 P35354 2/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL10806221 0.85 OPRM1 (0.42) OPRM1OPRD1OPRK1GRM2GRM3
SCHEMBL28985548 0.84 SLC1A3 (0.43) OPRM1OPRD1OPRK1GRM2GRM3
SCHEMBL27721177 0.84 OPRM1 (0.44) OPRM1OPRD1OPRK1GRM2GRM3
SCHEMBL20347200 0.78 CTSS (0.43) OPRM1OPRD1OPRK1GRM2GRM3
SCHEMBL20791731 0.77 OPRM1 (0.54) OPRM1OPRD1OPRK1CTSSCTSK
SCHEMBL20350621 0.77 SLC1A3 (0.41) OPRM1OPRD1OPRK1GRM2GRM3
SCHEMBL5844759 0.76 TAAR1 (0.43) OPRM1OPRD1OPRK1GRM2GRM3
SCHEMBL27476791 0.76 CTSS (0.46) OPRM1OPRD1OPRK1GRM2GRM3
SCHEMBL73959 0.76 TAAR1 (0.46) OPRM1OPRD1OPRK1TDP1NPC1
SCHEMBL23710368 0.75 CYP1A2 (0.42) OPRM1OPRD1OPRK1GRM2GRM3

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
CN-101605777-A Imidazoles as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-12-16 CN disclosed