SCHEMBL16640953

SCHEMBL16640953

CCCCNC(=O)N(Cc1cccc(CN(CC2CO2)C(=O)NCCC[Si](OCC)(OCC)OCC)c1)CC1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
PTGES O14684 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BCHE P06276 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CTSK P43235 1/20 0.34
SPHK2 Q9NRA0 2/20 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
SCHEMBL16641039 0.97 PTGES (0.40) ALOX5PTGESNPC1RAB9AALDH1A1
SCHEMBL16640970 0.96 ALOX5 (0.38) ALOX5PTGESNPC1RAB9ASMN1; SMN2
SCHEMBL16641036 0.88 PTGES (0.34) ALOX5PTGESALDH1A1
SCHEMBL16640968 0.87 ALOX5 (0.43) ALOX5PTGESNPC1RAB9ASMN1; SMN2
SCHEMBL16641038 0.86 ALOX5 (0.36) ALOX5PTGESNPC1RAB9ASMN1; SMN2
SCHEMBL16641035 0.77 HTT (0.36) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16640955 0.77 ALOX5 (0.39) ALOX5ALDH1A1HPGDKDM4EBCHE
SCHEMBL16640974 0.77 BCHE (0.34) ALOX5HPGDKDM4EBCHE
SCHEMBL16640947 0.76 BCHE (0.37) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16640946 0.76 BCHE (0.37) BCHEGRIN2DGRIN3BGRIN1GRIN2A

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-9902803-B2 Epoxy compound having alkoxy silyl group, composition comprising same, cured product, use thereof and method for preparing epoxy compound having alkoxy silyl group KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2018-02-27 US disclosed
US-20150105493-A1 EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-04-16 US disclosed