SCHEMBL4594049

SCHEMBL4594049

CCCCNS(=O)(=O)c1ccc(NC(=O)CCCCCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.76
LMNA P02545 5/20 0.76
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
TBXA2R P21731 1/20 0.61
PKM P14618 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HTT P42858 2/20 0.57
KMT2A Q03164 2/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57

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
SCHEMBL4595941 0.89 ALDH1A1 (0.62) ALDH1A1LMNAHDAC3HDAC1HTT
SCHEMBL4594652 0.86 ALDH1A1 (0.73) ALDH1A1LMNAHDAC3HDAC1TBXA2R
SCHEMBL4595944 0.86 ALDH1A1 (0.61) ALDH1A1LMNAPKMHTTKMT2A
SCHEMBL12864654 0.86 ALDH1A1 (0.63) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL10113019 0.83 ALDH1A1 (0.60) ALDH1A1LMNAHDAC3HDAC1HDAC6
Bicarbonate SCHEMBL9491178 0.81 ALDH1A1 (0.74) ALDH1A1LMNAHDAC3HDAC1TBXA2R
Bicarbonate SCHEMBL9492528 0.81 ALDH1A1 (0.74) ALDH1A1LMNAHDAC3HDAC1TBXA2R
Bicarbonate SCHEMBL27679772 0.81 ALDH1A1 (0.69) ALDH1A1LMNATBXA2RPKMHTT
SCHEMBL5020960 0.80 ALDH1A1 (0.82) ALDH1A1LMNATBXA2RPKMHTT
SCHEMBL633906 0.80 ALDH1A1 (0.82) ALDH1A1LMNATBXA2RPKMHTT

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