SCHEMBL9766522

SCHEMBL9766522

CCCCCC(C)c1ccc(S)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
SLC2A1 P11166 2/20 0.37
NR1I2 O75469 1/20 0.36
GPR84 Q9NQS5 1/20 0.33
RIPK1 Q13546 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC7A5 Q01650 1/20 0.32
ADRB2 P07550 4/20 0.32

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
SCHEMBL19185537 0.98 SLC2A1 (0.39) OPRM1SLC2A1NR1I2GPR84MEN1
SCHEMBL21253855 0.98 SLC2A1 (0.39) OPRM1SLC2A1NR1I2GPR84MEN1
SCHEMBL6678858 0.89 OPRM1 (0.44) OPRM1SLC2A1NR1I2GPR84RIPK1
SCHEMBL6684351 0.87 SLC2A1 (0.44) OPRM1SLC2A1NR1I2GPR84RIPK1
SCHEMBL9137197 0.87 SLC2A1 (0.44) OPRM1SLC2A1NR1I2GPR84RIPK1
SCHEMBL5437162 0.85 RIPK1 (0.36) RIPK1
SCHEMBL6685021 0.83 RIPK1 (0.40) SLC2A1RIPK1
SCHEMBL9137103 0.82 EPHX1 (0.45) OPRM1SLC2A1NR1I2GPR84
SCHEMBL6683685 0.82 ACHE (0.43) OPRM1SLC2A1NR1I2
SCHEMBL16669127 0.82 EPHX1 (0.45) OPRM1SLC2A1NR1I2GPR84

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
US-5034152-A Liquid crystal 4-alkylbenzenethiols, ferroelectricity CANON KABUSHIKI KAISHA (JP) 1991-07-23 US claimed
US-5034152-A Liquid crystal 4-alkylbenzenethiols, ferroelectricity CANON KABUSHIKI KAISHA (JP) 1991-07-23 US disclosed
US-4816178-A Optically active compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-03-28 US disclosed