SCHEMBL4596092

SCHEMBL4596092

CCCCCCCCCCCCC(CCCCCCCCCNS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.65
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TBXA2R P21731 1/20 0.58
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
TSHR P16473 1/20 0.56
TBXAS1 P24557 2/20 0.53
RECQL P46063 1/20 0.52
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
MMP12 P39900 2/20 0.50
MMP14 P50281 2/20 0.50
MAPK1 P28482 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 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
SCHEMBL4595507 1.00 EPHX2 (0.65) EPHX2ALDH1A1KDM4ELMNAPKM
Bicarbonate SCHEMBL9491178 0.87 ALDH1A1 (0.74) EPHX2ALDH1A1KDM4ELMNAPKM
Bicarbonate SCHEMBL9492528 0.87 ALDH1A1 (0.74) EPHX2ALDH1A1KDM4ELMNAPKM
SCHEMBL4594650 0.87 ALDH1A1 (0.57) EPHX2ALDH1A1KDM4ELMNAPKM
SCHEMBL579136 0.86 ALDH1A1 (0.82) EPHX2ALDH1A1KDM4ELMNAPKM
SCHEMBL5020960 0.86 ALDH1A1 (0.82) EPHX2ALDH1A1KDM4ELMNAPKM
SCHEMBL1279062 0.86 ALDH1A1 (0.82) EPHX2ALDH1A1KDM4ELMNAPKM
SCHEMBL578832 0.86 ALDH1A1 (0.82) EPHX2ALDH1A1KDM4ELMNAPKM
SCHEMBL633906 0.86 ALDH1A1 (0.82) EPHX2ALDH1A1KDM4ELMNAPKM
SCHEMBL578728 0.86 ALDH1A1 (0.82) EPHX2ALDH1A1KDM4ELMNAPKM

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