SCHEMBL28058398

SCHEMBL28058398

CCC=C(NCC)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 1/20 0.31
MCL1 Q07820 1/20 0.30
KDM4A O75164 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
SCHEMBL17499010 0.82 TET2 (0.37) TET2EGLN1MMP1MMP2MMP3
SCHEMBL28181791 0.80 ACHE (0.44) MMP2
SCHEMBL28058495 0.80 ALDH1A1 (0.32) TET2EGLN1ALDH1A1
SCHEMBL2049219 0.77 GRIK1 (0.35) MMP1MMP2MMP3MMP9MMP8
SCHEMBL28125437 0.75 TET2 (0.32) TET2
SCHEMBL10871499 0.74 KDM4E (0.32) ALDH1A1
SCHEMBL27889236 0.72
SCHEMBL5918757 0.72 ALDH1A1 (0.36) TET2EGLN1ALDH1A1
SCHEMBL10347767 0.71 SMN1; SMN2 (0.35) KMT2AALDH1A1
SCHEMBL10348024 0.71 CYP3A4 (0.32) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105793374-A Adhesive sheet, reinforced repair tape, and reinforced building material 3M创新有限公司 2016-07-20 CN disclosed