SCHEMBL8915085

SCHEMBL8915085

CCOCCSc1ccnc(CO)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPK1 P28482 3/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
TP53 P04637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
PTGS2 P35354 1/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6866383 0.87 MAPK1 (0.36) LMNAMAPK1SMN1; SMN2ALDH1A1PTGS2
SCHEMBL8915962 0.87 MAPK1 (0.36) LMNAMAPK1ALDH1A1PKMHPGD
SCHEMBL8914864 0.87 MAPK1 (0.36) LMNAMAPK1ALDH1A1PKMHPGD
SCHEMBL8914444 0.87 MAPK1 (0.36) LMNAMAPK1ALDH1A1PKMHPGD
SCHEMBL6869261 0.86 MAPK1 (0.33) MAPK1
SCHEMBL6867918 0.82 NPC1 (0.33) LMNAMAPK1NPC1RAB9ANPSR1
SCHEMBL7005383 0.82 ALDH1A1 (0.35) MAPK1ALDH1A1L3MBTL1
SCHEMBL7011575 0.79 CA2 (0.34) ALDH1A1L3MBTL1
SCHEMBL6869777 0.78 GSTP1 (0.35) ALDH1A1L3MBTL1
SCHEMBL6871755 0.77 ALDH1A1 (0.32) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
EP-0729957-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-09-04 EP disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed