SCHEMBL6654525

SCHEMBL6654525

CC(C)=CCCC(C)=CCc1ccccc1C(O)=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
PPARA Q07869 2/20 0.48
MAPT P10636 2/20 0.47
ICMT O60725 1/20 0.47
GMNN O75496 1/20 0.47
TRPA1 O75762 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CDK2 P24941 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PGR P06401 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL6654519 1.00 PPARG (0.48) PPARGPPARAMAPTICMTGMNN
SCHEMBL28035 0.85 MAPT (0.60) PPARGPPARAMAPTICMTGMNN
SCHEMBL5604693 0.85 MAPT (0.60) PPARGPPARAMAPTICMTGMNN
SCHEMBL28036 0.85 MAPT (0.60) PPARGPPARAMAPTICMTGMNN
SCHEMBL15345638 0.84 MAPT (0.62) MAPTICMTGMNNTRPA1LMNA
SCHEMBL18759162 0.83 MAPT (0.51) PPARGPPARAMAPTICMTGMNN
SCHEMBL6654518 0.82 MAPT (0.50) PPARGPPARAMAPTICMTGMNN
SCHEMBL5502025 0.80 BACE1 (0.40) PPARGPPARAMAPTPGRHTR1A
SCHEMBL5823579 0.78 ACHE (0.56) PPARGPPARAMAPTPGRHTR1A
SCHEMBL28432644 0.78 PTGS1 (0.52) PPARGPPARAMAPTPGRHTR1A

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