SCHEMBL9301339

SCHEMBL9301339

N=C(N)NCCCC([C]=O)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ CTSL P07711 4/20 0.45
▸ CTSS P25774 3/20 0.45
▸ KEAP1 Q14145 2/20 0.45
▸ NFE2L2 Q16236 2/20 0.45
▸ FOLH1 Q04609 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43
▸ TGM2 P21980 1/20 0.43

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
SCHEMBL27543265 1.00 HTT (0.47) HTTSIRT2CTSLCTSSKEAP1
SCHEMBL333826 1.00 HTT (0.47) HTTSIRT2CTSLCTSSKEAP1
SCHEMBL7378143 0.90 CTSL (0.56) CTSLCTSSCTSBCTSK
SCHEMBL27559585 0.90 LGMN (0.45) CTSLCTSSCTSBCTSK
SCHEMBL7378138 0.90 CTSL (0.56) CTSLCTSSCTSBCTSK
SCHEMBL11511471 0.90 HTT (0.46) HTTSIRT2CTSLCTSSKEAP1
SCHEMBL27562471 0.89 CTSL (0.48) HTTSIRT2CTSLCTSSCTSB
SCHEMBL4539198 0.86 FOLH1 (0.58) HTTKEAP1NFE2L2FOLH1LMNA
SCHEMBL4560825 0.86 FOLH1 (0.58) HTTKEAP1NFE2L2FOLH1LMNA
SCHEMBL10558519 0.86 FOLH1 (0.58) HTTKEAP1NFE2L2FOLH1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4505852-A 7-Amino-4-trifluoromethylquinolone derived substrates and method for determining enzymes and inhibitors ENZYME SYSTEMS PRODUCTS (US) 1985-03-19 — — US claimed
US-5342970-A Hydrosoluble coumarin derivatives, their preparation and their use as an enzyme substrate or for the preparation of such substrates LABORATOIRES EUROBIO (FR) 1994-08-30 — — US disclosed
US-4505852-A 7-Amino-4-trifluoromethylquinolone derived substrates and method for determining enzymes and inhibitors ENZYME SYSTEMS PRODUCTS (US) 1985-03-19 — — US disclosed
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