SCHEMBL16640934

SCHEMBL16640934

CCCCN(CC1CO1)c1ccc(Cc2ccc(N(CCCC)CC3CO3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
NR1H2 P55055 5/20 0.36
NR1H3 Q13133 5/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 4/20 0.33
SPHK2 Q9NRA0 3/20 0.32
SPHK1 Q9NYA1 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 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
SCHEMBL16641011 0.98 HTT (0.35) HTTNR1H2NR1H3ALDH1A1CYP3A4
SCHEMBL16640935 0.98 HTT (0.38) HTTNR1H2NR1H3ALDH1A1CYP3A4
SCHEMBL16641012 0.95 HTT (0.38) HTTNR1H2NR1H3ALDH1A1CYP3A4
SCHEMBL19901212 0.87
SCHEMBL19901214 0.87
SCHEMBL16640965 0.87
SCHEMBL16640937 0.84 HTT (0.32) HTT
SCHEMBL20909542 0.84 SPHK2 (0.38) NR1H2NR1H3MEN1KMT2ACNR2
SCHEMBL15038606 0.84 MGLL (0.33) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL19828106 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRMAPK1TDP1

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