SCHEMBL11061517

SCHEMBL11061517

CC[C@H](C)[C@H](N)C(=O)NCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
TGM2 P21980 1/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
ANPEP P15144 1/20 0.53
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
CAPN1 P07384 1/20 0.50
CAPN2 P17655 1/20 0.50

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
SCHEMBL11071402 0.89 HTT (0.59) HTTTGM2ANPEPCPB1CPB2
SCHEMBL10448521 0.84 MEN1 (0.49) CTSLCTSBCTSSLMNAMEN1
SCHEMBL2449575 0.82 CTSL (0.77) CTSLCTSBCTSSLMNAMEN1
SCHEMBL10414351 0.82 SLC1A3 (0.57) HTTTGM2ANPEPCPB1CPB2
SCHEMBL29472203 0.81 CYP1A2 (0.53) CTSLCTSBCTSSLMNAMEN1
SCHEMBL24845248 0.81 DPP8 (0.63) HTTTGM2ANPEPCPB1CPB2
SCHEMBL15177629 0.81 DPP8 (0.63) HTTTGM2ANPEPCPB1CPB2
SCHEMBL11061792 0.81 TGM2 (0.56) HTTTGM2ANPEPCPB1CPB2
SCHEMBL2445913 0.81 CTSL (0.75) CTSLCTSBCTSSLMNAMEN1
SCHEMBL2442047 0.81 CTSL (0.75) CTSLCTSBCTSSLMNAMEN1

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-4474800-A PROTEASE INHIBITORS, MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-10-02 US disclosed