SCHEMBL28333147

SCHEMBL28333147

CCCCCCCCC(S)c1ccccc1C(S)CCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.41
CNR2 P34972 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
PPARG P37231 2/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
SOAT1 P35610 1/20 0.36
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6534845 0.87 TSHR (0.47) CSNK1ECNR2CYSLTR2CYSLTR1PPARG
SCHEMBL6535244 0.87 TSHR (0.47) CSNK1ECNR2CYSLTR2CYSLTR1PPARG
SCHEMBL28641283 0.87 TSHR (0.47) CSNK1ECNR2CYSLTR2CYSLTR1PPARG
SCHEMBL6535290 0.87 TSHR (0.47) CSNK1ECNR2CYSLTR2CYSLTR1PPARG
Bromide SCHEMBL11703211 0.86 TSHR (0.46) CSNK1ECNR2CYSLTR2CYSLTR1PPARG
SCHEMBL6534897 0.85 TSHR (0.48) CSNK1ECNR2CYSLTR2CYSLTR1PPARG
SCHEMBL11782470 0.82 HTR2A (0.45) CSNK1ECNR2ALDH1A1KCNH2
SCHEMBL15105361 0.82 HTR2A (0.45) CSNK1ECNR2ALDH1A1KCNH2
SCHEMBL11103930 0.82 HTR2A (0.45) CSNK1ECNR2ALDH1A1KCNH2
SCHEMBL329081 0.82 HTR2A (0.45) CSNK1ECNR2ALDH1A1KCNH2

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-110382509-A Bis-silylaminosilyl-functionalized conjugated dienes and their use in the manufacture of rubber 西索斯卓里第七公司 2019-10-25 CN disclosed