SCHEMBL16640958

SCHEMBL16640958

CCCCN(CC1CCCC(CN(CCCC)CC2CO2)C1)CC1CO1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.32
BCHE P06276 3/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL16640954 0.98 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HTTTDP1CYP1A2
SCHEMBL16640969 0.85 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL2797895 0.84 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1HTTTDP1EPHX1
SCHEMBL19543775 0.83
SCHEMBL24288 0.82 OPRM1 (0.32)
SCHEMBL31410770 0.82 OPRM1 (0.32)
SCHEMBL16640976 0.82 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL23449016 0.81
SCHEMBL1030162 0.80 HTT (0.47) SMN1; SMN2ALDH1A1HTTTDP1EPHX1
SCHEMBL16821956 0.80 SIGMAR1 (0.37)

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