SCHEMBL11511471

SCHEMBL11511471

C#CC(CCCNC(=N)N)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ CTSL P07711 4/20 0.44
▸ CTSS P25774 3/20 0.44
▸ KEAP1 Q14145 2/20 0.44
▸ NFE2L2 Q16236 2/20 0.44
▸ FOLH1 Q04609 2/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.42
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL9301339 0.90 HTT (0.47) HTTSIRT2CTSLCTSSKEAP1
SCHEMBL27543265 0.90 HTT (0.47) HTTSIRT2CTSLCTSSKEAP1
SCHEMBL333826 0.90 HTT (0.47) HTTSIRT2CTSLCTSSKEAP1
SCHEMBL11512067 0.83 PRSS1 (0.50) CTSLCTSSCTSBCTSK
SCHEMBL9500591 0.83 SIRT2 (0.54) SIRT2CTSLCTSSFOLH1SIRT5
SCHEMBL5145708 0.83 FOLH1 (0.59) SIRT2CTSLCTSSFOLH1SIRT5
SCHEMBL631840 0.83 FOLH1 (0.59) SIRT2CTSLCTSSFOLH1SIRT5
SCHEMBL6768020 0.83 FOLH1 (0.59) SIRT2CTSLCTSSFOLH1SIRT5
Bromide SCHEMBL9221277 0.82 FOLH1 (0.58) SIRT2CTSLCTSSFOLH1SIRT5
Water SCHEMBL7274005 0.82 FOLH1 (0.58) SIRT2CTSLCTSSFOLH1SIRT5

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-4139563-A ENZYME INHIBITORS, ANTIFERTILITY AGENTS, IMMUNOSUPPRESSIVES, ANTITUMOR AGENTS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-02-13 — — US disclosed
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