SCHEMBL6008103

SCHEMBL6008103

O=C(O)CCC(=O)C1CCC2CCN1CC2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.33
EPHX2 P34913 2/20 0.33
LMNA P02545 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ACE P12821 2/20 0.31
REN P00797 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
Bromide SCHEMBL9704530 0.66
SCHEMBL572684 0.65 ACE (0.36) ACEALDH1A1
SCHEMBL357830 0.64 ATM (0.34) ACERENALDH1A1CYP1A2
SCHEMBL28514121 0.64 HSD11B1 (0.39) ALDH1A1
SCHEMBL3440186 0.64 LMNA (0.50) LMNAALKBH5SUCNR1EGLN1ACE
Hydrochloric Acid SCHEMBL14343353 0.63 ACE (0.35) ACEALDH1A1
Hydrochloric Acid SCHEMBL5473763 0.63 ACE (0.35) ACEALDH1A1
Hydrochloric Acid SCHEMBL14343221 0.63 ACE (0.35) ACEALDH1A1
Hydrochloric Acid SCHEMBL1372396 0.62 LMNA (0.47) LMNAALKBH5SUCNR1EGLN1ACE
Succinic Acid SCHEMBL10781116 0.61

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920345-A4 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS VYTERIS INC (US) 2006-05-10 EP disclosed
EP-0920345-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS Becton Dickinson and Company (US) 1999-06-09 EP disclosed
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed
WO-1997048443-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed