SCHEMBL6652397

SCHEMBL6652397

CC(C)=CCOc1ccc(OCC=C(C)C)c(C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.53
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
PGR P06401 1/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CNR1 P21554 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52
AGTR1 P30556 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
BLM P54132 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL30293692 0.91 KDM4E (0.54) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL28948110 0.91 KDM4E (0.54) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL6653306 0.89 MAPT (0.60) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL6651692 0.88 ALOX15 (0.55) MAPTHPGDMAOBKDM4EALDH1A1
SCHEMBL6651695 0.88 ALOX15 (0.55) MAPTHPGDMAOBKDM4EALDH1A1
SCHEMBL5384385 0.88 MAOB (0.55) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL3901893 0.81 ALOX5 (0.58) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL18614861 0.81 GAA (0.70) MAPTHPGDMEN1LMNAKMT2A
SCHEMBL28964412 0.81 ALOX5 (0.55) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL6650885 0.81 MTNR1A (0.58) MAPTHPGDMAOBKDM4EALDH1A1

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 13 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-0796847-B1 Pyridine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO CO LTD (JP) 2001-11-28 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-6017937-A BACTERICIDE AGAINST HELICOBACTER PYROLI; INHIBITING ACID SECRETION IN STOMACH OF MAN OR MAMMALS, PREVENTING OR CURING ULCER SHISEIDO CO., LTD. (JP) 2000-01-25 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
US-5859032-A HAVING ANTIBACTERIAL ACTIVITY AGAINST HELICOBACTER PYLORI SHISEIDO CO., LTD. (JP) 1999-01-12 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
EP-0796847-A1 Pyridine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1997-09-24 EP disclosed