SCHEMBL8915575

SCHEMBL8915575

Cc1c(SCCN2CCCCC2)cc[n+]([O-])c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
LTA4H P09960 1/20 0.38
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CCR5 P51681 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DCTPP1 Q9H773 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HRH1 P35367 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
RAD52 P43351 1/20 0.33
KMT2A Q03164 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
SCHEMBL8914385 0.86 POLB (0.42) ALOX15ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL8914984 0.75
SCHEMBL6841577 0.75 CA2 (0.33)
SCHEMBL8914910 0.69 ALOX15 (0.39) ALOX15LTA4HTSHRALDH1A1KDM4E
SCHEMBL8914311 0.69 ALOX15 (0.39) ALOX15LTA4HTSHRALDH1A1KDM4E
SCHEMBL1927719 0.65 KDM4E (0.49) ALOX15LTA4HALDH1A1KDM4EDCTPP1
SCHEMBL11246374 0.64 ALOX15 (0.45) ALOX15LTA4HTSHRALDH1A1TP53
Hydrochloric Acid SCHEMBL10954089 0.64 LTA4H (0.44) ALOX15LTA4HTSHRKDM4ETP53
SCHEMBL11536449 0.63 LTA4H (0.73) LTA4HALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL11345755 0.63 LTA4H (0.50) ALOX15LTA4HDCTPP1HRH3HTT

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