SCHEMBL2170762

SCHEMBL2170762

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSB P07858 4/20 0.40
CTSL P07711 3/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
PTPRB P23467 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL4957420 0.72 ALDH1A1 (0.47) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL4954832 0.71 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL4867352 0.71 CTSS (0.42) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11248 0.70 ALDH1A1 (0.58) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL16847835 0.70 CTSK (0.69) CTSBCTSLCTSSCTSK
SCHEMBL3965574 0.70 GPR88 (0.46) ALDH1A1GLATSHRCTSBCTSL
SCHEMBL4866152 0.70 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL18765958 0.70 ALDH1A1 (0.66) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11405182 0.69 ALDH1A1 (0.56) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL17629514 0.69 ALDH1A1 (0.42) MEN1KMT2AALDH1A1CTSBCTSL

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-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed