SCHEMBL7447309

SCHEMBL7447309

CCCCOC(=O)NC(CC(N)=O)Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.45
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 3/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
ALOX5 P09917 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PAX8 Q06710 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
PTGES O14684 1/20 0.40

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
SCHEMBL26310589 0.79 CTSK (0.47) CTSKSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6654292 0.79 FAAH (0.42) CTSKSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6654077 0.79 PLA2G10 (0.46) CTSKSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15564679 0.77 ALDH1A1 (0.43) CTSKSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7447301 0.77 CTSK (0.44) CTSKSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6656147 0.76 FAAH (0.41) CTSKSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL24095786 0.74 EPHX1 (0.47)
SCHEMBL2052808 0.73 SMN1; SMN2 (0.56) CTSKSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7454120 0.73 SMN1; SMN2 (0.56) CTSKSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7742011 0.73 CTSL (0.55) CTSKTDP1L3MBTL1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed