SCHEMBL18306201

SCHEMBL18306201

COC(=O)[C@@H](N)CCCCCCCCCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
P2RY10 O00398 1/20 0.36
GPR174 Q9BXC1 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
TSHR P16473 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
NOD1 Q9Y239 2/20 0.34
LTA4H P09960 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL27686173 1.00 EPHX2 (0.39) EPHX2L3MBTL1ZDHHC7P2RY10GPR174
SCHEMBL18306205 0.91 NOD1 (0.34) EPHX2L3MBTL1P2RY10GPR174HDAC8
Hydrochloric Acid SCHEMBL22804031 0.87 LTA4H (0.38) EPHX2L3MBTL1HDAC8TSHRLTA4H
SCHEMBL3730273 0.87 SLC1A1 (0.40) HDAC8TSHRCA1CA2LTA4H
SCHEMBL1143587 0.87 SLC1A1 (0.40) HDAC8TSHRCA1CA2LTA4H
SCHEMBL9725660 0.87 SLC1A1 (0.40) HDAC8TSHRCA1CA2LTA4H
Hydrochloric Acid SCHEMBL25409265 0.85 SLC1A1 (0.39) HDAC8CA1CA2LMNALTA4H
Hydrochloric Acid SCHEMBL1143881 0.85 SLC1A1 (0.39) HDAC8CA1CA2LMNALTA4H
Hydrochloric Acid SCHEMBL3364146 0.85 SLC1A1 (0.39) HDAC8CA1CA2LMNALTA4H
SCHEMBL29889530 0.85 EPHX2 (0.44) EPHX2L3MBTL1TSHRCA1CA2

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
US-9518088-B2 Peptide-phospholipid conjugates INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-12-13 US disclosed