SCHEMBL7327833

SCHEMBL7327833

CC(C)(C)OC(=O)NC1CCCCN(C(=O)OCc2ccccc2)CCCCCNC1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
CTSL P07711 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP3 P42574 1/20 0.43
BACE1 P56817 1/20 0.43
NAAA Q02083 2/20 0.43
CCR2 P41597 2/20 0.43
ASAH1 Q13510 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CYP2C19 P33261 1/20 0.42
HLA-DRB1 P01911 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL7418021 1.00 PDE4B (0.48) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL7328284 0.98 CTSL (0.47) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL7359484 0.97 PDE4B (0.49) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL1198333 0.86 PDE4B (0.49) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL22988062 0.86 PDE4B (0.49) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL14040698 0.81 CTSK (0.57) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL4081547 0.80 NAAA (0.61) CTSLALDH1A1NAAAASAH1
SCHEMBL4087794 0.80 NAAA (0.61) CTSLALDH1A1NAAAASAH1
SCHEMBL10719082 0.80 NAAA (0.61) CTSLALDH1A1NAAAASAH1
SCHEMBL27605899 0.79 KMT2A (0.51) PDE4BCTSLSMN1; SMN2NPC1RAB9A

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
EP-0527761-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY Beecham Group p.l.c. (GB) 1993-02-24 EP disclosed
WO-1992006966-A1 N-(2-ALKYL-3-MERCAPTOGLUTARYL)-AMINO-DIAZA CYCLOALKANONE DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1992-04-30 WO disclosed
WO-1991015506-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1991-10-17 WO disclosed