SCHEMBL8914577

SCHEMBL8914577

CC(=O)OCc1nccc(SCCN2CCOCC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 6/20 0.42
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ATM Q13315 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GAA P10253 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL8915212 0.83 KDM4E (0.43) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL8918377 0.80 SIGMAR1 (0.42) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL9213950 0.79 PDE10A (0.41) KDM4EHPGDLMNAALDH1A1RAB9A
SCHEMBL8017018 0.76 PDE10A (0.45) KDM4EHPGDLMNAALDH1A1RAB9A
SCHEMBL8915877 0.76 POLB (0.47) KDM4EHPGDLMNAPKMHTT
SCHEMBL8914183 0.74 GAA (0.50) KDM4EHPGDNPSR1ALDH1A1RAB9A
SCHEMBL8916464 0.74 DRD3 (0.43) ALDH1A1MEN1KMT2AATMSIGMAR1
SCHEMBL9052359 0.73 GRIN2B (0.43) KDM4EHPGDLMNAALDH1A1RAB9A
SCHEMBL8914024 0.72 L3MBTL1 (0.45) KDM4EHPGDALDH1A1TP53MAPT
SCHEMBL8008533 0.72 ALDH1A1 (0.53) KDM4EHPGDLMNAPKMNPSR1

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
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed