SCHEMBL17593308

SCHEMBL17593308

CC1COc2cc(N3C[C@@H]4C(N)[C@@H]4C3)ccc2-c2[nH]c(=O)c(C(=O)O)c(O)c21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 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
SCHEMBL14757118 1.00 KDM4E (0.30) KDM4E
Hydrochloric Acid SCHEMBL14741362 0.99 KDM4E (0.30) KDM4E
Hydrochloric Acid SCHEMBL14741360 0.99 KDM4E (0.30) KDM4E
SCHEMBL14745344 0.88 KIF11 (0.36) KDM4E
Hydrochloric Acid SCHEMBL18628145 0.86
SCHEMBL14757030 0.85
SCHEMBL14741509 0.84 PTGS1 (0.32)
SCHEMBL14741511 0.84 PTGS1 (0.32)
SCHEMBL18652993 0.84 PTGS1 (0.32)
SCHEMBL17593209 0.84

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
WO-2016039938-A1 POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed