SCHEMBL7544219

SCHEMBL7544219

N#CCCCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.65
CTSL P07711 10/20 0.65
CTSB P07858 5/20 0.60
CTSK P43235 3/20 0.60
TACR1 P25103 1/20 0.58
FOLH1 Q04609 2/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52

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
SCHEMBL28723295 0.93 CTSL (0.62) CTSSCTSLCTSBCTSKTACR1
SCHEMBL4828679 0.93 CTSL (0.62) CTSSCTSLCTSBCTSKTACR1
SCHEMBL11685409 0.90 CTSL (0.56) CTSSCTSLCTSBCTSKTACR1
SCHEMBL8387978 0.89 FOLH1 (0.65) CTSSCTSLCTSKFOLH1SIRT2
SCHEMBL10421088 0.89 FOLH1 (0.62) CTSSCTSLCTSKTACR1FOLH1
SCHEMBL7515531 0.85 FOLH1 (0.58) CTSSCTSLCTSKTACR1FOLH1
SCHEMBL6841663 0.85 FOLH1 (0.58) CTSSCTSLCTSKTACR1FOLH1
SCHEMBL6560575 0.85 CTSS (0.64) CTSSCTSLCTSBCTSKTACR1
SCHEMBL6560581 0.85 CTSS (0.64) CTSSCTSLCTSBCTSKTACR1
SCHEMBL19520868 0.84 FOLH1 (0.57) CTSSCTSLCTSKTACR1FOLH1

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
JP-2002047263-A 2-AMINO-OMEGE-CYANOALKANOIC ACID DERIVATIVE AND METHOD OF PRODUCING THE SAME SUMIKA FINE CHEMICALS CO LTD 2002-02-12 JP disclosed