SCHEMBL30132018

SCHEMBL30132018

C=C(c1ccccc1)c1ccc([SiH](OC)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ELANE P08246 3/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
TSHR P16473 2/20 0.36
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
DAO P14920 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
Styrene SCHEMBL28935355 0.89 ALDH1A1 (0.42) MEN1KMT2AELANEMAPTTSHR
SCHEMBL28309937 0.78 MEN1 (0.53) MEN1KMT2AELANEMAPTHTT
SCHEMBL202617 0.76 CA4 (0.41) KMT2ATSHRLMNASMN1; SMN2
SCHEMBL894135 0.76 MEN1 (0.65) MEN1KMT2AMAPTHTTGFER
Fluoride SCHEMBL28075271 0.74 CA4 (0.39) TSHRLMNASMN1; SMN2
Benzene SCHEMBL27757751 0.74 CA4 (0.39) TSHRLMNASMN1; SMN2
SCHEMBL28013767 0.74 CA1 (0.41) MEN1KMT2AMAPTHTTTSHR
SCHEMBL27967440 0.74 CA4 (0.39) MEN1KMT2AMAPTTSHRLMNA
Water SCHEMBL27737033 0.74 CA4 (0.39) TSHRLMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL28286688 0.74 CA4 (0.39) TSHRLMNASMN1; SMN2

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-113354777-B Preparation method of multifunctional SIBR (silicon-oxygen-nitrogen-containing) integrated rubber with adjustable silicon-oxygen/nitrogen group sequence by one-step feeding control 大连理工大学(CN) 2023-01-13 CN claimed