SCHEMBL21608640

SCHEMBL21608640

CCc1cc2sc(CC(C)CC)cc2s1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL9980122 0.80 MAPK1 (0.42) MAPK1HSD17B10CA2
SCHEMBL21608648 0.78 GPR35 (0.36) TLR8TLR7
SCHEMBL23794121 0.73 MAPK1 (0.38) MAPK1HSD17B10CA2
SCHEMBL21173327 0.72 SELE (0.33)
SCHEMBL16004512 0.70 MAPK1 (0.37) MAPK1HSD17B10CA2
SCHEMBL22675035 0.65 CA2 (0.34) HSD17B10CA2
SCHEMBL12907918 0.65 PRMT6 (0.45) HSD17B10TLR8TLR7
SCHEMBL2756710 0.65 MAPK1 (0.34) MAPK1HSD17B10
SCHEMBL12651908 0.64 CYP1A2 (0.36) MAPK1HSD17B10
SCHEMBL9980132 0.64 MAPK1 (0.39) MAPK1HSD17B10

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
WO-2019243216-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-12-26 WO disclosed