SCHEMBL10551981

SCHEMBL10551981

CCOc1ccc([Si](C)(C)CSCc2cccc(Oc3ccccc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 1/20 0.36
KCNH2 Q12809 1/20 0.35
RELA Q04206 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 5/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL10554877 0.86 LOXL2 (0.37) KDM4EHPGDKCNH2L3MBTL1MAPT
SCHEMBL10557151 0.86 L3MBTL1 (0.35) SMN1; SMN2NPC1RAB9AHPGDKCNH2
SCHEMBL8858271 0.81 LTA4H (0.46) LTA4HSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9714669 0.79 LTA4H (0.41) LTA4HSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9714593 0.79 LTA4H (0.41) LTA4HSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL10554911 0.79 LTA4H (0.51) LTA4HSMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL9714640 0.78 LTA4H (0.39) LTA4HKDM4EL3MBTL1MAPK1MAPT
SCHEMBL9198043 0.70 KCNH2 (0.44) LTA4HSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9335440 0.70 LTA4H (0.46) LTA4HSMN1; SMN2RAB9AKCNH2RELA
SCHEMBL10549191 0.69 LTA4H (0.44) LTA4HSMN1; SMN2NPC1RAB9AALDH1A1

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
US-4804653-A INSECTICIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-02-14 US claimed
US-4804653-A INSECTICIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-02-14 US disclosed