SCHEMBL7359484

SCHEMBL7359484

CC(C)(C)OC(=O)NC1CCCCN(C(=O)OCc2ccccc2)CCCNC1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
CTSL P07711 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
CASP3 P42574 1/20 0.44
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAAA Q02083 3/20 0.42
FKBP1A P62942 1/20 0.42
GRIN2B Q13224 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 0.97 PDE4B (0.48) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL7327833 0.97 PDE4B (0.48) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL7328284 0.95 CTSL (0.47) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL1198333 0.87 PDE4B (0.49) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL22988062 0.87 PDE4B (0.49) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL14040698 0.82 CTSK (0.57) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL4703578 0.80 USP30 (0.55) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL4703576 0.80 USP30 (0.55) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL1564482 0.80 USP30 (0.55) PDE4BCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL4081547 0.79 NAAA (0.61) CTSLNAAA

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-0527761-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY Beecham Group p.l.c. (GB) 1993-02-24 EP disclosed
WO-1991015506-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1991-10-17 WO disclosed