SCHEMBL28951850

SCHEMBL28951850

COC(=O)C(CC1CCCCC1)NC(=O)c1cc2c(OC)cccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ RCE1 Q9Y256 1/20 0.55
▸ CTSB P07858 5/20 0.52
▸ CTSL P07711 4/20 0.52
▸ CTSS P25774 4/20 0.52
▸ NPC1 O15118 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL30174726 1.00 KMT2A (0.55) KMT2AMEN1RCE1CTSBCTSL
SCHEMBL25533122 1.00 KMT2A (0.55) KMT2AMEN1RCE1CTSBCTSL
SCHEMBL25232548 0.92 KMT2A (0.58) KMT2AMEN1RCE1CTSBCTSL
SCHEMBL25232550 0.92 KMT2A (0.58) KMT2AMEN1RCE1CTSBCTSL
SCHEMBL24113263 0.91 KMT2A (0.54) KMT2AMEN1RCE1CTSBCTSL
SCHEMBL24029304 0.90 KMT2A (0.53) KMT2AMEN1RCE1CTSBCTSL
SCHEMBL25517799 0.89 TAS1R3 (0.47) KMT2AMEN1RCE1CTSBCTSL
SCHEMBL24447590 0.88 KMT2A (0.60) KMT2AMEN1RCE1CTSBCTSL
SCHEMBL23824296 0.88 CTSB (0.69) CTSBCTSLCTSS
SCHEMBL29627233 0.88 CTSB (0.69) CTSBCTSLCTSS

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-115698035-A Inhibitors of norovirus and coronavirus replication 共晶制药公司 2023-02-03 — — CN disclosed
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