SCHEMBL7363045

SCHEMBL7363045

NC(Cc1ccccc1)C(O)C1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.40
SLC15A1 P46059 1/20 0.39
CSNK1E P49674 1/20 0.38
EPHX1 P07099 1/20 0.38
SLC6A3 Q01959 3/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL10590526 0.96 SLC6A3 (0.42) HPGDLMNAMEN1HTTKMT2A
SCHEMBL28130535 0.81 HPGD (0.46) HPGDLMNAMEN1HTTKMT2A
SCHEMBL7316735 0.77 HPGD (0.49) HPGDLMNAMEN1HTTKMT2A
SCHEMBL7316081 0.77 HPGD (0.49) HPGDLMNAMEN1HTTKMT2A
SCHEMBL11998010 0.76 SLC15A1 (0.44) SLC15A1CSNK1EEPHX1SLC6A3ALPI
SCHEMBL11998023 0.76 SLC15A1 (0.44) SLC15A1CSNK1EEPHX1SLC6A3ALPI
SCHEMBL7357671 0.76 SLC15A1 (0.44) SLC15A1CSNK1EEPHX1SLC6A3ALPI
SCHEMBL6580113 0.76 SLC15A1 (0.44) SLC15A1CSNK1EEPHX1SLC6A3ALPI
SCHEMBL10871667 0.75 EPHX2 (0.45) HPGDSLC15A1CSNK1EEPHX1SLC6A3
SCHEMBL6893033 0.72 HPGD (0.50) HPGDLMNAMEN1HTTKMT2A

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-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed