SCHEMBL16640968

SCHEMBL16640968

CCCCNC(=O)N(Cc1cccc(CN(CC2CO2)CC2CO2)c1)CC1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
PTGES O14684 2/20 0.43
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BCHE P06276 1/20 0.37
LMNA P02545 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CTSK P43235 1/20 0.36
SPHK2 Q9NRA0 3/20 0.36
SPHK1 Q9NYA1 2/20 0.36

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
SCHEMBL16640949 0.88 ALOX5 (0.43) ALOX5PTGESHPGDSMN1; SMN2NPC1
SCHEMBL16640953 0.87 ALOX5 (0.40) ALOX5PTGESHPGDALDH1A1GAA
SCHEMBL16640970 0.83 ALOX5 (0.38) ALOX5PTGESHPGDALDH1A1GAA
SCHEMBL16641039 0.83 PTGES (0.40) ALOX5PTGESALDH1A1GAANPC1
SCHEMBL16641038 0.81 ALOX5 (0.36) ALOX5PTGESHPGDSMN1; SMN2NPC1
SCHEMBL16644938 0.80 PTGES (0.41) ALOX5PTGESHPGDLMNA
SCHEMBL20144628 0.79 SPHK2 (0.51) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16640948 0.77 HTT (0.43) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16640967 0.76 HTT (0.44) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL44458 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2BCHELMNAGRIN2D

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