SCHEMBL28293905

SCHEMBL28293905

C=C[SiH2]C(=O)c1ccccc1OC(CC)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CYP3A4 P08684 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 3/20 0.38
THRA P10827 1/20 0.38
THRB P10828 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
SCHEMBL28293914 0.84 PRSS1 (0.43) PRSS1PRSS2PRSS3CYP3A4LMNA
SCHEMBL28293906 0.83 PRSS1 (0.42) PRSS1PRSS2PRSS3CYP3A4LMNA
SCHEMBL28295752 0.82 MEN1 (0.44) PRSS1PRSS2PRSS3CYP3A4LMNA
SCHEMBL342808 0.81 KDM4E (0.57) PRSS1PRSS2PRSS3CYP3A4LMNA
SCHEMBL28293912 0.81 PRSS1 (0.47) PRSS1PRSS2PRSS3CYP3A4LMNA
SCHEMBL11564477 0.80 KDM4E (0.56) PRSS1PRSS2PRSS3CYP3A4LMNA
SCHEMBL9324896 0.80 KDM4E (0.56) PRSS1PRSS2PRSS3CYP3A4LMNA
SCHEMBL28293897 0.78 ALDH1A1 (0.53) PRSS1PRSS2PRSS3CYP3A4LMNA
SCHEMBL28658873 0.78 PRSS1 (0.53) PRSS1PRSS2PRSS3CYP3A4LMNA
SCHEMBL28295781 0.76 IRAK4 (0.57) LMNAKDM4EALDH1A1TDP1

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 claimed