SCHEMBL11071402

SCHEMBL11071402

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

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TGM2 P21980 1/20 0.56
ANPEP P15144 1/20 0.55
CPB1 P15086 1/20 0.55
CPB2 Q96IY4 1/20 0.55
DPP8 Q6V1X1 2/20 0.55
DPP7 Q9UHL4 2/20 0.55
KEAP1 Q14145 2/20 0.54
NFE2L2 Q16236 2/20 0.54
SLC1A3 P43003 1/20 0.53
SLC1A1 P43005 1/20 0.53
FOLH1 Q04609 2/20 0.51
DPP4 P27487 1/20 0.51
DPP9 Q86TI2 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
SCHEMBL11061517 0.89 HTT (0.55) HTTLMNASMN1; SMN2TGM2ANPEP
SCHEMBL10414351 0.85 SLC1A3 (0.57) HTTLMNASMN1; SMN2TGM2ANPEP
SCHEMBL24845248 0.84 DPP8 (0.63) HTTLMNASMN1; SMN2TGM2ANPEP
SCHEMBL15177629 0.84 DPP8 (0.63) HTTLMNASMN1; SMN2TGM2ANPEP
SCHEMBL11061792 0.84 TGM2 (0.56) HTTLMNASMN1; SMN2TGM2ANPEP
SCHEMBL11060790 0.84 TGM2 (0.56) HTTLMNASMN1; SMN2TGM2ANPEP
SCHEMBL8241771 0.84 HTT (0.65) HTTLMNASMN1; SMN2TGM2CPB1
SCHEMBL18254066 0.83 HTT (0.81) HTTLMNASMN1; SMN2TGM2DPP8
SCHEMBL23983084 0.83 CPB1 (0.57) ANPEPCPB1CPB2DPP8DPP7
SCHEMBL13480421 0.83 HTT (0.63) HTTLMNASMN1; SMN2TGM2ANPEP

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