SCHEMBL7909568

SCHEMBL7909568

CO/N=C(\C)N(CCCC[C@H](N)C(=O)O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
SLC1A5 Q15758 2/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC1A1 P43005 1/20 0.38

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
SCHEMBL7909573 1.00 L3MBTL1 (0.41) L3MBTL1ALPIPKMPTGS1XIAP
SCHEMBL7911979 0.84 L3MBTL1 (0.44) L3MBTL1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL8201921 0.83 L3MBTL1 (0.43) L3MBTL1ALPIPKMPTGS1XIAP
SCHEMBL8205413 0.76 SLC1A5 (0.39) SLC1A5POLBKMT2ATDP1SLC1A1
SCHEMBL7901687 0.75 KMT2A (0.41) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7901680 0.75 KMT2A (0.41) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7909588 0.73 MAPT (0.40) PKMSLC7A5POLBKMT2ATDP1
SCHEMBL7909596 0.73 MAPT (0.40) PKMSLC7A5POLBKMT2ATDP1
SCHEMBL6359011 0.71 SLC1A1 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23656532 0.70 FOLH1 (0.60) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 US claimed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO claimed