SCHEMBL16640997

SCHEMBL16640997

CCO[Si](CCCNC(=O)N(CC1CO1)c1ccc(OCC2CO2)cc1)(OCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL16640995 0.93 ALDH1A1 (0.34) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL16640996 0.88 MGLL (0.40)
SCHEMBL16640925 0.88 ALOX5 (0.42) ALDH1A1HPGDTP53MAPTTSHR
SCHEMBL16640923 0.86 MGLL (0.43)
SCHEMBL19901222 0.85 TP53 (0.34) ALDH1A1HPGDTP53MAPTTSHR
SCHEMBL19901221 0.83 ALOX5 (0.33) ALDH1A1HPGDTP53MAPTTSHR
SCHEMBL16640944 0.82 TP53 (0.32) ALDH1A1HPGDTP53MAPTTSHR
SCHEMBL16640957 0.81 ALOX5 (0.38) ALDH1A1HPGDTP53MAPTTSHR
SCHEMBL16640990 0.78 ALDH1A1 (0.41) ALDH1A1HPGDTP53MAPTTSHR
SCHEMBL16640924 0.78 ALOX5 (0.44) ALDH1A1HPGDTP53MAPTTSHR

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