SCHEMBL7436306

SCHEMBL7436306

NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.68
SLC1A2 P43004 1/20 0.68
SLC1A1 P43005 1/20 0.68
CYP1A2 P05177 1/20 0.61
CPA3 P15088 3/20 0.54
CPA1 P15085 2/20 0.54
FOLH1 Q04609 2/20 0.54
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.54
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
ANPEP P15144 2/20 0.52
RNPEP Q9H4A4 1/20 0.52
DNPEP Q9ULA0 1/20 0.52
LAP3 P28838 3/20 0.50
ERAP2 Q6P179 2/20 0.50

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
SCHEMBL7436311 1.00 SLC1A3 (0.68) SLC1A3SLC1A2SLC1A1CYP1A2CPA3
SCHEMBL7440641 0.93 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1CYP1A2CPA3
SCHEMBL8893790 0.93 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1CYP1A2CPA3
SCHEMBL7426413 0.93 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1CYP1A2CPA3
SCHEMBL7440636 0.93 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1CYP1A2CPA3
SCHEMBL8893214 0.91 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1CYP1A2CPA3
SCHEMBL8893218 0.91 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1CYP1A2CPA3
SCHEMBL7434949 0.91 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1CYP1A2CPA3
SCHEMBL7434946 0.91 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1CYP1A2CPA3
SCHEMBL4062972 0.89 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1CYP1A2CPA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663168-A ADMINISTERING INHIBITORS OF HIV ASPARATATE PROTEASES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
CN-1108955-A The use of compositions for combating tumour diseases CIBA GEIGY AG (CH) 1995-09-27 CN disclosed
EP-0626178-A1 Use of inhibitors of HIV-protease for the treatment of tumorous diseases CIBA-GEIGY AG (CH) 1994-11-30 EP disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed