SCHEMBL16640987

SCHEMBL16640987

CCO[Si](CCCOc1ccc(C(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)cc1)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 1/20 0.38
GLA P06280 1/20 0.34
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
FFAR1 O14842 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
SCHEMBL16640988 0.98 ALDH1A1 (0.42) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL19901203 0.93 ALDH1A1 (0.44) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL16640943 0.91 ALDH1A1 (0.42) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL17051350 0.88 MEN1 (0.36) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL16919352 0.84 ALDH1A1 (0.67) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL23918988 0.84 ALDH1A1 (0.53) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL16640918 0.84 ALDH1A1 (0.53) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL16640920 0.84 ALDH1A1 (0.53) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL16640989 0.83 MGLL (0.42) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL20226248 0.83 MAPK1 (0.43) CYP1A2SMN1; SMN2CYP3A4MAPK1SLC2A1

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