SCHEMBL1741997

SCHEMBL1741997

CC(C)NC(=O)N[C@H](C=O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CTSB P07858 6/20 0.58
CAPN1 P07384 4/20 0.56
ACE P12821 1/20 0.51
CTSK P43235 2/20 0.51
CTSL P07711 1/20 0.51
CTSH P09668 1/20 0.51

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
SCHEMBL2266848 0.83 CAPN1 (0.58) CTSBCAPN1ACE
SCHEMBL5563236 0.83 CAPN1 (0.58) CTSBCAPN1ACE
SCHEMBL2269431 0.83 CAPN1 (0.58) CTSBCAPN1ACE
SCHEMBL14290145 0.83 CAPN1 (0.56) NPC1RAB9ACTSBCAPN1ACE
SCHEMBL3292711 0.83 CAPN1 (0.61) CTSBCAPN1ACE
SCHEMBL2369340 0.83 CAPN1 (0.61) CTSBCAPN1ACE
SCHEMBL17865652 0.83 CAPN1 (0.61) CTSBCAPN1ACE
SCHEMBL24444411 0.83 CTSB (0.64) NPC1RAB9ACTSBCAPN1ACE
SCHEMBL7445998 0.83 CAPN1 (0.55) NPC1RAB9ACTSBCAPN1ACE
SCHEMBL22204675 0.82 CTSB (0.59) NPC1RAB9ACTSBCAPN1

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-2389176-A1 NOVEL METABOLIC DISEASE THERAPY The University Of Sydney (AU) 2011-11-30 EP claimed
US-20110253961-A1 Combined Guardrail and Cable Safety Systems TRINITY INDUSTRIES, INC. (US) 2011-10-20 US claimed
WO-2010083570-A1 NOVEL METABOLIC DISEASE THERAPY THE UNIVERSITY OF SYDNEY (AU) 2010-07-29 WO claimed