SCHEMBL12657331

SCHEMBL12657331

O=C(Cl)CCCc1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.58
FAAH O00519 6/20 0.58
DDAH1 O94760 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HSP90AA1 P07900 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
CHRM1 P11229 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL741572 0.85 MGLL (0.59) MGLLFAAHDDAH1NPSR1HSP90AA1
SCHEMBL514697 0.85 MGLL (0.59) MGLLFAAHDDAH1NPSR1HSP90AA1
Hydrochloric Acid SCHEMBL28737900 0.84 MGLL (0.58) MGLLFAAHDDAH1NPSR1HSP90AA1
SCHEMBL12683541 0.84 MGLL (0.62) MGLLFAAHDDAH1NPSR1HSP90AA1
Water SCHEMBL17644778 0.84 MGLL (0.58) MGLLFAAHDDAH1NPSR1HSP90AA1
SCHEMBL8090506 0.83 MGLL (0.56) MGLLFAAHDDAH1NPSR1HSP90AA1
Hydrazine SCHEMBL27822007 0.83 MGLL (0.56) MGLLFAAHDDAH1NPSR1HSP90AA1
SCHEMBL27951835 0.82 MGLL (0.73) MGLLFAAHDDAH1NPSR1HSP90AA1
SCHEMBL28264790 0.81 MGLL (0.83) MGLLFAAHDDAH1NPSR1HSP90AA1
SCHEMBL24637617 0.80 MGLL (0.57) MGLLFAAHDDAH1NPSR1HSP90AA1

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-0968223-B1 BIOCONJUGATION OF MACROMOLECULES SIGMA ALDRICH CO LLC (US) 2016-12-21 EP disclosed
EP-2319855-A1 Bioconjugation of Macromolecules Sigma-Aldrich Co. (US) 2011-05-11 EP disclosed
EP-2319854-A1 Bioconjugation Of Macromolecules Sigma-Aldrich Co. (US) 2011-05-11 EP disclosed
EP-2256133-A1 Bioconjugation of macromolecules Sigma-Aldrich Co. (US) 2010-12-01 EP disclosed