SCHEMBL6425554

SCHEMBL6425554

N[C@@H](Cc1ccccc1)C(O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.62
CSNK1E P49674 1/20 0.61
ANPEP P15144 2/20 0.54
SLC15A1 P46059 1/20 0.53
SLC6A2 P23975 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
LAP3 P28838 3/20 0.48
TRPA1 O75762 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
Hydrochloric Acid SCHEMBL9388352 0.98 EPHX1 (0.60) EPHX1CSNK1EANPEPSLC15A1SLC6A2
SCHEMBL8761734 0.87 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1SLC6A2
SCHEMBL296417 0.87 EPHX1 (0.52) EPHX1CSNK1EANPEPSLC15A1SLC6A2
SCHEMBL4502384 0.87 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1SLC6A2
SCHEMBL4441102 0.87 EPHX1 (0.52) EPHX1CSNK1EANPEPSLC15A1SLC6A2
SCHEMBL7758242 0.87 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1SLC6A2
SCHEMBL3972803 0.87 EPHX1 (0.52) EPHX1CSNK1EANPEPSLC15A1SLC6A2
SCHEMBL8690233 0.87 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1SLC6A2
SCHEMBL7340766 0.87 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1SLC6A2
SCHEMBL11091491 0.87 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8109190-A None JP disclosed
EP-1551412-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISEASES RELATED TO NEUROTROPHINES Mimetech S.R.L. (IT) 2005-07-13 EP disclosed
WO-2004000324-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISEASES RELATED TO NEUROTROPHINES MIMETECH S.R.L. (IT) 2003-12-31 WO disclosed
JP-H08109190-A OXAAZACYCLOPHOSPHAMIDE DERIVATIVE EFFECTIVE FOR DETERMINING OPTICAL PURITY AND STERIC CONFIGURATION OF AMINES AND ALCOHOLS NIPPON SODA CO LTD 1996-04-30 JP disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed