SCHEMBL4757532

SCHEMBL4757532

N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O.[Cu]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.67
ALPI P09923 1/20 0.67
PKM P14618 1/20 0.67
PTGS1 P23219 1/20 0.67
XIAP P98170 1/20 0.67
PPARG P37231 4/20 0.63
PPARA Q07869 3/20 0.63
LTA4H P09960 7/20 0.63
LAP3 P28838 1/20 0.63
PARP10 Q53GL7 1/20 0.60
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
FFAR1 O14842 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
MEN1 O00255 1/20 0.57
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
PLA2G2A P14555 1/20 0.57
KMT2A Q03164 1/20 0.57
PPARD Q03181 1/20 0.56

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
SCHEMBL6065556 1.00 SLC7A5 (0.67) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL659105 0.98 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL288912 0.98 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL515522 0.98 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL16816702 0.97 SLC7A5 (0.67) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL16816706 0.97 SLC7A5 (0.67) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12379285 0.94 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Trifluoroacetic Acid SCHEMBL8208389 0.92 PTPN1 (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL21340321 0.90 ITGB3 (0.60) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL28633098 0.89 LTA4H (0.70) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed
EP-1636164-A2 PROCESS FOR PREPARING 3-ARYL-2-HYDROXY PROPANOIC ACID DERIVATIVES WITHOUT RESOLUTION CADILA HEALTHCARE LTD. (IN) 2006-03-22 EP disclosed
WO-2005019152-A2 PROCESS FOR PREPARING 3-ARYL-2-HYDROXY PROPANOIC ACID DERIVATIVES WITHOUT RESOLUTION CADILA HEALTHCARE LIMITED (IN) 2005-03-03 WO disclosed