SCHEMBL28280874

SCHEMBL28280874

NC(=O)OC1(Cc2ccccc2)CCC(=O)C(OC=O)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.34
▸ CTSB P07858 3/20 0.34
▸ CTSK P43235 3/20 0.34
▸ LMNA P02545 1/20 0.32
▸ HSD17B3 P37058 2/20 0.32
▸ ADAM17 P78536 1/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL1725213 0.76 LMNA (0.41) CTSLCTSBCTSKLMNAMAOA
SCHEMBL28951054 0.72 CTSK (0.49) CTSLCTSBCTSKLMNAMAOA
SCHEMBL7531427 0.70 CTSK (0.50) CTSLCTSBCTSKLMNAMAOA
SCHEMBL28607722 0.69 LMNA (0.39) CTSLCTSBCTSKLMNAADAM17
SCHEMBL3857434 0.69 CTSK (0.42) CTSLCTSBCTSKLMNAMAOA
SCHEMBL1881050 0.64 CTSK (0.43) CTSLCTSBCTSKLMNAMAOA
SCHEMBL6632034 0.64 CTSK (0.49) CTSLCTSBCTSKLMNAMAOA
SCHEMBL7648047 0.64 CTSK (0.49) CTSLCTSBCTSKLMNAMAOA
SCHEMBL3864730 0.63 OPRM1 (0.46) —
SCHEMBL10631882 0.60 CTSK (0.49) CTSLCTSBCTSKLMNAMAOA

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
CN-109475530-A For treating the aminoacyl indazole immunomodulator of autoimmune disease 洛克菲勒大学 2019-03-15 — — CN disclosed
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