SCHEMBL16640988

SCHEMBL16640988

CCCCOc1ccc(C(c2ccc(OCCC[Si](OCC)(OCC)OCC)cc2)c2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.35
SLC2A1 P11166 2/20 0.34
CYP19A1 P11511 2/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL16640987 0.98 ALDH1A1 (0.44) ALDH1A1TP53TSHRHPGDMAPT
SCHEMBL16640943 0.93 ALDH1A1 (0.42) ALDH1A1TP53TSHRHPGDMAPT
SCHEMBL19901203 0.91 ALDH1A1 (0.44) ALDH1A1TP53TSHRHPGDMAPT
SCHEMBL16640920 0.88 ALDH1A1 (0.53) ALDH1A1TP53TSHRHPGDMAPT
SCHEMBL16640918 0.88 ALDH1A1 (0.53) ALDH1A1TP53TSHRHPGDMAPT
SCHEMBL23918988 0.88 ALDH1A1 (0.53) ALDH1A1TP53TSHRHPGDMAPT
SCHEMBL20226248 0.86 MAPK1 (0.43) CYP1A2SMN1; SMN2CYP3A4MAPK1SLC2A1
SCHEMBL17051350 0.85 MEN1 (0.36) ALDH1A1TP53TSHRHPGDMAPT
SCHEMBL16919352 0.82 ALDH1A1 (0.67) ALDH1A1TP53TSHRHPGDMAPT
SCHEMBL16640989 0.81 MGLL (0.42) ALDH1A1TP53TSHRHPGDMAPT

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