SCHEMBL6598593

SCHEMBL6598593

CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(Br)cn1.CC(C)(C)OC(=O)N1CCCC1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.57
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 1/20 0.47
UCHL1 P09936 2/20 0.47
JAK2 O60674 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.45
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43

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
SCHEMBL31188377 0.96 USP30 (0.60) USP30NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3834612 0.96 USP30 (0.60) USP30NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL12567215 0.96 USP30 (0.60) USP30NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17387921 0.83 NPC1 (0.59) USP30NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL13379469 0.83 NPC1 (0.59) USP30NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL15972262 0.83 NPC1 (0.59) USP30NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL12567167 0.83 NPC1 (0.58) USP30NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL13379461 0.82 NPC1 (0.58) USP30NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9105606 0.82 NPC1 (0.57) USP30NPC1ALDH1A1LMNANPSR1
SCHEMBL9105614 0.82 NPC1 (0.57) USP30NPC1ALDH1A1LMNANPSR1

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-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed