SCHEMBL28293910

SCHEMBL28293910

CCCCCCOc1c(CC)cccc1C[SiH2]CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PLA2G4B P0C869 5/20 0.38
CYSLTR2 Q9NS75 3/20 0.36
CYSLTR1 Q9Y271 3/20 0.36
LMNA P02545 2/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMPD1 P17405 3/20 0.36

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
SCHEMBL28293904 0.90 TSHR (0.38) TSHRPLA2G4BLMNAALDH1A1MEN1
SCHEMBL28295755 0.86 TSHR (0.40) TSHRPLA2G4BLMNAALDH1A1MEN1
SCHEMBL28295750 0.81 LTA4H (0.39) TSHRPLA2G4BLMNALTB4RLTB4R2
SCHEMBL28293899 0.81 THRA (0.36) TSHRPLA2G4BLMNAALDH1A1MEN1
SCHEMBL28293909 0.80 TSHR (0.41) TSHRPLA2G4BLMNAALDH1A1MEN1
SCHEMBL1419945 0.76 BID (0.49) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL15176184 0.74 TSHR (0.40) TSHRCYSLTR2CYSLTR1LMNAALDH1A1
SCHEMBL2712841 0.74 TSHR (0.45) TSHRLMNAALDH1A1MEN1NR1I2
SCHEMBL342807 0.73 PTPN11 (0.52) TSHRPLA2G4BLMNAALDH1A1MEN1
SCHEMBL28848623 0.73 TSHR (0.50) TSHRPLA2G4BLMNAALDH1A1MEN1

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-109790190-A Curing agent for silicone rubber material 硝基化学阿绍有限公司 2019-05-21 CN disclosed