SCHEMBL9848834

SCHEMBL9848834

CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.52
CTSS P25774 3/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ATM Q13315 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
PPARD Q03181 2/20 0.45
EPHX2 P34913 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL5418894 0.93 CTSS (0.48) CTSKCTSSNPC1RAB9ASMN1; SMN2
SCHEMBL21531695 0.89 GPR139 (0.53) CTSKCTSSNPC1RAB9ASMN1; SMN2
SCHEMBL15283622 0.88 CTSK (0.55) CTSKCTSSATMCTSLCTSB
SCHEMBL5394821 0.86 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GPR139EPHX2
SCHEMBL28289884 0.85 CTSK (0.53) CTSKCTSSATMCTSLCTSB
SCHEMBL28288450 0.85 CTSK (0.53) CTSKCTSSATMCTSLCTSB
SCHEMBL17497816 0.83 CTSK (0.53) CTSKCTSSATMPPARGPPARA
SCHEMBL17497818 0.83 CTSK (0.53) CTSKCTSSATMPPARGPPARA
SCHEMBL6382995 0.83 PPARA (0.57) CTSKCTSSPPARGPPARAPPARD
SCHEMBL3866896 0.81 PPARA (0.49) CTSKCTSSATMPRSS1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed