SCHEMBL4595944

SCHEMBL4595944

CCCCCCCCCCCCc1ccccc1S(=O)(=O)NCCCCCC(=O)Nc1ccc(S(=O)(=O)NCCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
LMNA P02545 4/20 0.61
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
PKM P14618 1/20 0.48
AKT1 P31749 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48

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 0.86 ALDH1A1 (0.76) ALDH1A1LMNACA1CA2MEN1
SCHEMBL4595941 0.79 ALDH1A1 (0.62) ALDH1A1LMNACA1CA2MEN1
SCHEMBL23716806 0.79 RECQL (0.67) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL12864654 0.78 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL5189488 0.76 CA12 (0.60) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL534942 0.76 RECQL (0.59) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL10113019 0.75 ALDH1A1 (0.60) ALDH1A1LMNACA1CA2MEN1
SCHEMBL9775630 0.74 POLB (0.75) ALDH1A1LMNACA1CA2MEN1
SCHEMBL10112999 0.74 NPY5R (0.51) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL21998659 0.74 CA1 (0.74) ALDH1A1LMNACA1CA2MEN1

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