SCHEMBL9766527

SCHEMBL9766527

CCCCCC(C)c1ccc(SSc2ccc(C(C)CCCCC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
OPRM1 P35372 2/20 0.38
SLC6A4 P31645 2/20 0.38
MEN1 O00255 1/20 0.38
XBP1 P17861 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCB11 O95342 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
FYN P06241 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 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
SCHEMBL6678858 0.88 OPRM1 (0.44) OPRM1SLC2A1NR1I2GPR84RIPK1
SCHEMBL9766513 0.86 SLC6A4 (0.35) LMNAOPRM1SLC6A4MEN1XBP1
SCHEMBL6684351 0.86 SLC2A1 (0.44) LMNAOPRM1TSHRSLC2A1NR1I2
SCHEMBL9137197 0.86 SLC2A1 (0.44) LMNAOPRM1TSHRSLC2A1NR1I2
SCHEMBL6685021 0.81 RIPK1 (0.40) ESR1HRH3SLC2A1RIPK1
SCHEMBL16669127 0.80 EPHX1 (0.45) LMNAOPRM1SLC6A4SLC6A2SLC6A3
SCHEMBL6683685 0.80 ACHE (0.43) OPRM1HRH3SLC2A1NR1I2
SCHEMBL9137103 0.80 EPHX1 (0.45) LMNAOPRM1SLC6A4SLC6A2SLC6A3
SCHEMBL6679845 0.78 HTT (0.42) OPRM1MEN1KMT2ANPSR1KCNH2
SCHEMBL6686936 0.78 ESR1 (0.52) LMNAOPRM1SLC6A4ALDH1A1EGFR

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 2 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 disclosed
US-4816178-A Optically active compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-03-28 US disclosed