SCHEMBL4595512

SCHEMBL4595512

CCCCCCCCCCCCC(CCCC)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
GHSR Q92847 1/20 0.43
TSHR P16473 2/20 0.42
MMP1 P03956 3/20 0.41
MMP7 P09237 3/20 0.41
MMP12 P39900 3/20 0.41
MMP13 P45452 3/20 0.41
ACE P12821 2/20 0.41
METAP2 P50579 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TBXA2R P21731 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4596094 0.99 EPHX2 (0.46) EPHX2ALDH1A1GAAHPGDGHSR
SCHEMBL382267 0.88 ALDH1A1 (0.42) EPHX2ALDH1A1GAAHPGDTSHR
Hydrochloric Acid SCHEMBL382294 0.86 ALDH1A1 (0.41) EPHX2ALDH1A1GAAHPGDTSHR
SCHEMBL27062680 0.80 ALDH1A1 (0.47) EPHX2ALDH1A1GAAHPGDGHSR
SCHEMBL1278954 0.80 ALDH1A1 (0.54) EPHX2ALDH1A1TSHRKDM4ELMNA
SCHEMBL534941 0.78 ALDH1A1 (0.44) EPHX2ALDH1A1GAAHPGDGHSR
Nitrogen SCHEMBL115914 0.76 ALDH1A1 (0.43) EPHX2ALDH1A1GAAHPGDGHSR
SCHEMBL19271984 0.75 EPHX2 (0.47) EPHX2ALDH1A1GAAHPGDGHSR
Nitrogen SCHEMBL1492487 0.72 ALDH1A1 (0.39) EPHX2ALDH1A1GAAHPGDGHSR
SCHEMBL6418766 0.72 MMP2 (0.47) ALDH1A1GAAMMP1MMP7MMP12

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