SCHEMBL25156465

SCHEMBL25156465

COC(=O)c1cc(OC[C@@H]2CCN2C(=O)OC(C)(C)C)c(F)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.45
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ EED O75530 1/20 0.37
▸ RBBP4 Q09028 1/20 0.37
▸ SUZ12 Q15022 1/20 0.37
▸ EZH2 Q15910 1/20 0.37
▸ AEBP2 Q6ZN18 1/20 0.37
▸ F2RL3 Q96RI0 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ IL1B P01584 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL30344047 1.00 SCN9A (0.45) SCN9AALOX5APFEN1EEDRBBP4
SCHEMBL31360409 0.90 SCN9A (0.42) SCN9AALOX5APFEN1F2RL3LMNA
SCHEMBL30344380 0.90 SCN9A (0.42) SCN9AALOX5APFEN1F2RL3LMNA
SCHEMBL25156670 0.90 SCN9A (0.42) SCN9AALOX5APFEN1F2RL3LMNA
SCHEMBL25155554 0.89 PDE4A (0.38) SCN9AEEDRBBP4SUZ12EZH2
SCHEMBL30344487 0.89 PDE4A (0.38) SCN9AEEDRBBP4SUZ12EZH2
SCHEMBL30344830 0.85 PDGFRB (0.41) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL25155275 0.82 LMNA (0.41) ALOX5APEEDRBBP4SUZ12EZH2
SCHEMBL31360329 0.82 LMNA (0.41) ALOX5APEEDRBBP4SUZ12EZH2
SCHEMBL31360013 0.82 LMNA (0.41) ALOX5APEEDRBBP4SUZ12EZH2

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
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 — — WO disclosed
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