SCHEMBL6979074

SCHEMBL6979074

COC(=O)c1ccc(/C=C/CC2CCCCC(=O)N2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 3/20 0.36
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PABPC1 P11940 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
SCHEMBL6979077 1.00 RAB9A (0.42) RAB9AKDM4ETDP1LMNAHTT
SCHEMBL6969826 0.88 RAB9A (0.41) RAB9AKDM4ETDP1LMNAHTT
SCHEMBL6964670 0.88 RAB9A (0.41) RAB9AKDM4ETDP1LMNAHTT
SCHEMBL6974783 0.77 PARP1 (0.38) RAB9AKDM4ETDP1LMNAALDH1A1
SCHEMBL6974780 0.77 PARP1 (0.38) RAB9AKDM4ETDP1LMNAALDH1A1
SCHEMBL6964986 0.75 RAB9A (0.39) RAB9AKDM4ETDP1LMNAHTT
SCHEMBL6967285 0.75 POLB (0.36) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL6967289 0.75 POLB (0.36) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL6978294 0.72 ALDH1A1 (0.41) KDM4ELMNAHTTALDH1A1NPSR1
SCHEMBL6978292 0.72 ALDH1A1 (0.41) KDM4ELMNAHTTALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed