SCHEMBL7183810

SCHEMBL7183810

CC(C)CCN(C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2c(ccc3ccccc32)o1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
PTPRB P23467 2/20 0.39
PTPN11 Q06124 1/20 0.39
USP30 Q70CQ3 2/20 0.39
MAPK1 P28482 2/20 0.38
STS P08842 1/20 0.38
KMT2A Q03164 3/20 0.37
GPR119 Q8TDV5 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PRSS8 Q16651 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7049413 0.90 CTSL (0.41) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL7046969 0.86 PTPRB (0.39) PTPRBPTPN11USP30MAPK1STS
SCHEMBL7047995 0.82 CTSS (0.46) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6061657 0.81 PRSS8 (0.43) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL7044976 0.79 PTPRB (0.38) PTPRBPTPN11USP30MAPK1STS
SCHEMBL6062950 0.76 PRSS8 (0.40) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL6062946 0.76 PRSS8 (0.40) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL6467209 0.76 PRSS8 (0.39) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL7046421 0.76 USP30 (0.39) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL7046217 0.74 CTSL (0.44) CTSLCTSBCTSSCTSKPTPRB

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
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed