SCHEMBL5502340

SCHEMBL5502340

CN1C(=O)C(=O)c2ccccc21.CN1C(=O)Cc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.69
TTR P02766 2/20 0.69
CASP3 P42574 4/20 0.47
CASP6 P55212 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BCHE P06276 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH3A1 P30838 1/20 0.44
NOTUM Q6P988 1/20 0.44
GAA P10253 1/20 0.43
RNASEH1 O60930 1/20 0.42
HPGD P15428 1/20 0.42
LRRK2 Q5S007 1/20 0.42
GABRA1 P14867 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
SCHEMBL578262 0.85 NOTUM (0.56) CASP3CASP6SENP8SENP7SENP6
SCHEMBL16767079 0.85 NOTUM (0.56) CASP3CASP6SENP8SENP7SENP6
SCHEMBL29385722 0.85 NOTUM (0.56) CASP3CASP6SENP8SENP7SENP6
Water SCHEMBL30404181 0.83 NOTUM (0.55) CASP3CASP6SENP8SENP7SENP6
Water SCHEMBL9309686 0.83 NOTUM (0.55) CASP3CASP6SENP8SENP7SENP6
SCHEMBL28252336 0.83 CES1 (1.00) CES1TTRCASP3KMT2ABCHE
SCHEMBL126628 0.83 CES1 (1.00) CES1TTRCASP3KMT2ABCHE
SCHEMBL4994391 0.82 KMT2A (0.53) CES1TTRCASP3CASP6SENP8
Methoxymethane SCHEMBL9309030 0.80 NOTUM (0.51) CASP3CASP6SENP8SENP7SENP6
SCHEMBL21311772 0.79 CES1 (0.58) CES1TTRCASP3CASP6SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869029-A1 AN OXINDOLE OXAZOLIDINONE AS ANTIBACTERIAL AGENT Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
EP-1781642-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006106426-A1 AN OXINDOLE OXAZOLIDINONE AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-12 WO disclosed
WO-2006016221-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed