SCHEMBL28848623

SCHEMBL28848623

CCCCCCOc1c(CC)cccc1C(=O)[SiH3]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TP53 P04637 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR1 P21554 2/20 0.44

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
SCHEMBL11330301 0.88 PTPN11 (0.52) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL342807 0.88 PTPN11 (0.52) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL14992283 0.84 ALDH1A1 (0.57) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL14974569 0.84 ALDH1A1 (0.57) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL14992531 0.84 ALDH1A1 (0.57) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL14992036 0.84 ALDH1A1 (0.57) TSHRLMNAALDH1A1CYP3A4MEN1
Salicylic Acid SCHEMBL30211364 0.84 PTPN11 (0.49) TSHRLMNAALDH1A1KDM4EPTPN11
Salicylic Acid SCHEMBL15203964 0.84 PTPN11 (0.49) TSHRLMNAALDH1A1KDM4EPTPN11
SCHEMBL29854564 0.81 KMT2A (0.59) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL8208703 0.81 F7 (0.52) TSHRLMNAALDH1A1MAPTKDM4E

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
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