SCHEMBL28293909

SCHEMBL28293909

CCCCCCOc1c(CC)cccc1C[SiH3]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NR5A1 Q13285 1/20 0.39
SMPD1 P17405 3/20 0.38
TP53 P04637 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LTA4H P09960 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
SCHEMBL28295755 0.81 TSHR (0.40) TSHRLMNAALDH1A1MEN1NR1I2
SCHEMBL1419945 0.80 BID (0.49) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL28293910 0.80 TSHR (0.39) TSHRLMNAALDH1A1MEN1NR1I2
SCHEMBL28848623 0.80 TSHR (0.50) TSHRLMNAALDH1A1MEN1NR1I2
SCHEMBL28293904 0.78 TSHR (0.38) TSHRLMNAALDH1A1MEN1NR1I2
SCHEMBL15176184 0.78 TSHR (0.40) TSHRLMNAALDH1A1
SCHEMBL2712841 0.77 TSHR (0.45) TSHRLMNAALDH1A1MEN1NR1I2
SCHEMBL342807 0.76 PTPN11 (0.52) TSHRLMNAALDH1A1MEN1NR1I2
SCHEMBL11330301 0.76 PTPN11 (0.52) TSHRLMNAALDH1A1MEN1NR1I2
SCHEMBL28295750 0.76 LTA4H (0.39) TSHRLMNAALDH1A1MEN1NR1I2

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
CN-109790190-A Curing agent for silicone rubber material 硝基化学阿绍有限公司 2019-05-21 CN claimed
CN-110709473-B Curable silicone rubber composition 硝基化学阿绍有限公司 2022-03-01 CN disclosed
CN-110709473-A Curable silicone rubber composition 硝基化学阿绍有限公司 2020-01-17 CN disclosed