SCHEMBL6654518

SCHEMBL6654518

CC(C)=CCC/C(C)=C/Cc1ccccc1C(=O)S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ICMT O60725 1/20 0.50
GMNN O75496 1/20 0.50
TRPA1 O75762 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CDK2 P24941 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS1 P23219 2/20 0.48
PGR P06401 1/20 0.48
HTR1A P08908 1/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL1265937 0.89 LMNA (0.46) MAPTICMTGMNNTRPA1LMNA
SCHEMBL28035 0.88 MAPT (0.60) MAPTICMTGMNNTRPA1LMNA
SCHEMBL5604693 0.88 MAPT (0.60) MAPTICMTGMNNTRPA1LMNA
SCHEMBL28036 0.88 MAPT (0.60) MAPTICMTGMNNTRPA1LMNA
SCHEMBL15345638 0.87 MAPT (0.62) MAPTICMTGMNNTRPA1LMNA
SCHEMBL18759162 0.86 MAPT (0.51) MAPTICMTGMNNTRPA1LMNA
SCHEMBL6654519 0.82 PPARG (0.48) MAPTICMTGMNNTRPA1LMNA
SCHEMBL6654525 0.82 PPARG (0.48) MAPTICMTGMNNTRPA1LMNA
SCHEMBL27706696 0.80 MAPT (0.58) MAPTICMTGMNNTRPA1LMNA
SCHEMBL9956929 0.79 TRPV1 (0.48) MAPTICMTGMNNTRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0875501-B1 Alkylenediamine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO CO LTD (JP) 2004-06-16 EP disclosed
EP-0802196-B1 Alkylenediamine derivatives as drugs for the treatment of ulcers and the inhibition of Helicobacter pylori SHISEIDO CO LTD (JP) 2001-08-29 EP disclosed
US-6043243-A Pyrrolidine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO CO., LTD. (JP) 2000-03-28 US disclosed
US-6001880-A DISUBSTITUTED N-(2-DIALKYLAMINOETHYL)BENZAMIDE DERIVATIVES OF GIVEN FORMULA; ANTIBACTERIAL ACTIVITY AGAINST HELICOBACTER PYROLI, ADMINISTERING FOR THE PREVENTION OR CURE OF PEPTIC ULCERS SHISEIDO CO., LTD. (JP) 1999-12-14 US disclosed
US-5925667-A INHIBITS GROWTH OF HELICOBACTER PYLORI SHISEIDO CO., LTD. (JP) 1999-07-20 US disclosed
EP-0875501-A2 Alkylenediamine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1998-11-04 EP disclosed
EP-0869118-A1 Pyrrolidine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1998-10-07 EP disclosed
US-5814634-A PEPTIC ULCERS, GASTRIC ULCERS SHISEIDO CO. LTD. (JP) 1998-09-29 US disclosed
EP-0802196-A1 Alkylenediamine derivative, antiulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1997-10-22 EP disclosed