SCHEMBL6967285

SCHEMBL6967285

COC(=O)c1cc(OC)ccc1/C=C/CC1CCCCC(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
KDM4E B2RXH2 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.34
NR4A2 P43354 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KLF5 Q13887 1/20 0.34

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
SCHEMBL6967289 1.00 POLB (0.36) POLBKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6969805 0.89 KDM4E (0.38) POLBKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6969803 0.89 KDM4E (0.38) POLBKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6978294 0.85 ALDH1A1 (0.41) POLBKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL6978292 0.85 ALDH1A1 (0.41) POLBKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL6971583 0.78 MEN1 (0.38) POLBKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6971586 0.78 MEN1 (0.38) POLBKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6972621 0.77 GAA (0.35) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL6979074 0.75 RAB9A (0.42) POLBKDM4ECYP1A2CYP2C19HSD17B10
SCHEMBL6979077 0.75 RAB9A (0.42) POLBKDM4ECYP1A2CYP2C19HSD17B10

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