SCHEMBL7277804

SCHEMBL7277804

CC(C)CC(CNOCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
ANPEP P15144 1/20 0.45
RNPEP Q9H4A4 1/20 0.45
DNPEP Q9ULA0 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CTSK P43235 2/20 0.44
SLC1A1 P43005 1/20 0.43
FOLH1 Q04609 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL27368867 0.86 SLC1A1 (0.50) ACE2ANPEPRNPEPDNPEPHSD17B10
SCHEMBL7080776 0.83 CYP1A2 (0.59) SLC1A1FOLH1
SCHEMBL7080774 0.83 CYP1A2 (0.59) SLC1A1FOLH1
SCHEMBL7080779 0.83 CYP1A2 (0.59) SLC1A1FOLH1
SCHEMBL14028935 0.81 APAF1 (0.50) SLC1A1NPC1RAB9A
SCHEMBL14028939 0.81 APAF1 (0.50) SLC1A1NPC1RAB9A
SCHEMBL14028933 0.81 APAF1 (0.50) SLC1A1NPC1RAB9A
SCHEMBL7861189 0.81 CPA1 (0.48) ANPEPRNPEPDNPEPSLC1A1FOLH1
SCHEMBL16898377 0.81 NPC1 (0.44) SLC1A1FOLH1NPC1RAB9A
SCHEMBL16898375 0.81 NPC1 (0.44) SLC1A1FOLH1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013792-A INTERSTITIAL COLLAGENASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIOSTEOPOROSIS AGENTS SYNTEX (U.S.A.), INC. (US) 2000-01-11 US disclosed
CN-1040211-C Matrix metalloprotease inhibitors SYNTEX INC (US) 1998-10-14 CN disclosed
US-5773428-A BONE DISORDERS SYNTEX (U.S.A.) INC. (US) 1998-06-30 US disclosed
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP disclosed
EP-0712403-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-09-10 EP disclosed
CN-1132511-A Matrix metalloprotease inhibitors SYNTEX A INC (US) 1996-10-02 CN disclosed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO disclosed
EP-0712403-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-05-22 EP disclosed
WO-1995004735-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-02-16 WO disclosed
US-4996358-A Control, prevention rheumatic diseases HOFFMANN-LA ROCHE INC. (US) 1991-02-26 US disclosed
EP-0236872-A2 Hydroxyl amine derivatives, their preparation and use as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1987-09-16 EP disclosed