SCHEMBL4595941

SCHEMBL4595941

CCCCCCCCCCCCN(CCCCCC(=O)Nc1ccc(S(=O)(=O)NCCCC)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
LMNA P02545 6/20 0.62
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 4/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 3/20 0.52
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 1/20 0.52
ICMT O60725 1/20 0.51
ALB P02768 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
GPR55 Q9Y2T6 1/20 0.50
HPGD P15428 1/20 0.50
ESR2 Q92731 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50

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
SCHEMBL4594049 0.89 ALDH1A1 (0.76) ALDH1A1LMNACA1CA2KMT2A
SCHEMBL4595944 0.79 ALDH1A1 (0.61) ALDH1A1LMNACA1CA2KMT2A
SCHEMBL4595939 0.77 EPHX2 (0.45) ALDH1A1LMNACA1KMT2AHTT
SCHEMBL4594652 0.77 ALDH1A1 (0.73) ALDH1A1LMNAHDAC3HDAC1
SCHEMBL12864654 0.76 ALDH1A1 (0.63) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL10113019 0.76 ALDH1A1 (0.60) ALDH1A1LMNACA1CA2KMT2A
SCHEMBL579010 0.76 TDP1 (0.64) LMNACA1CA2HTTESR2
SCHEMBL29173159 0.76 TDP1 (0.64) LMNACA1CA2HTTESR2
SCHEMBL18763131 0.76 TDP1 (0.64) LMNACA1CA2HTTESR2
SCHEMBL8349234 0.76 TDP1 (0.64) LMNACA1CA2HTTESR2

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
EP-1873200-A1 An improved process for making an external plasticization of aliphatic polyamides and plasticizers useful for said plasticization Arkema France (FR) 2008-01-02 EP disclosed