SCHEMBL6653790

SCHEMBL6653790

CC(C)=CCC/C(C)=C/COc1cc(OC/C=C(\C)CCC=C(C)C)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MTNR1A P48039 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NDUFS8 O00217 1/20 0.51
COXFA4 O00483 1/20 0.51
NDUFAB1 O14561 1/20 0.51
NDUFA1 O15239 1/20 0.51
NDUFS4 O43181 1/20 0.51
NDUFB5 O43674 1/20 0.51
NDUFB3 O43676 1/20 0.51
NDUFC1 O43677 1/20 0.51
NDUFA2 O43678 1/20 0.51
NDUFS5 O43920 1/20 0.51
NDUFS7 O75251 1/20 0.51
NDUFS2 O75306 1/20 0.51
NDUFS6 O75380 1/20 0.51
NDUFB1 O75438 1/20 0.51
NDUFS3 O75489 1/20 0.51

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
SCHEMBL6654666 1.00 ALOX15 (0.51) ALOX15ALDH1A1TDP1MTNR1AKDM4E
SCHEMBL4654826 0.92 MGAM (0.47) ALOX15ALDH1A1TDP1MTNR1AKDM4E
SCHEMBL4654829 0.92 MGAM (0.47) ALOX15ALDH1A1TDP1MTNR1AKDM4E
SCHEMBL4653412 0.87 ALOX15 (0.53) ALOX15ALDH1A1TDP1MTNR1AKDM4E
SCHEMBL4653415 0.87 ALOX15 (0.53) ALOX15ALDH1A1TDP1MTNR1AKDM4E
SCHEMBL24183149 0.86 ALOX15 (0.58) ALOX15ALDH1A1TDP1MTNR1AKDM4E
SCHEMBL6653941 0.86 PLA2G2A (0.51) ALDH1A1MTNR1AKDM4ENDUFS8COXFA4
SCHEMBL4652491 0.86 TRPV1 (0.56) ALOX15ALDH1A1TDP1MTNR1AKDM4E
SCHEMBL4652487 0.86 TRPV1 (0.56) ALOX15ALDH1A1TDP1MTNR1AKDM4E
SCHEMBL6653209 0.86 TRPV1 (0.56) ALOX15ALDH1A1TDP1MTNR1AKDM4E

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 12 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-0736526-B1 Pyrazolidine derivative, radical scavenger, brain-infarction depressant, and brain-edema depressant SHISEIDO CO LTD (JP) 2003-02-12 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
US-5849930-A Pyrazolidine derivative radical scavenger brain-infarction depressant and brain-edema depressant SHISEIDO CO., LTD. (JP) 1998-12-15 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-0736526-A1 Pyrazolidine derivative, radical scavenger, brain-infarction depressant, and brain-edema depressant SHISEIDO COMPANY LIMITED (JP) 1996-10-09 EP disclosed