SCHEMBL8976312

SCHEMBL8976312

CC(C)(C)OC(=O)N(CCOc1ccc(CC(=O)O)cc1)C[C@H](O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LTB4R Q15722 7/20 0.44
LTB4R2 Q9NPC1 7/20 0.44
BACE1 P56817 5/20 0.42
NR1H3 Q13133 1/20 0.42
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PLA2G4B P0C869 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL1622181 0.87 MEN1 (0.50) ALOX15MEN1KMT2ABACE1KDM4E
SCHEMBL8976432 0.86 LTB4R (0.44) ALOX15MEN1KMT2ALTB4RLTB4R2
SCHEMBL9543338 0.79 MEN1 (0.44) MEN1KMT2ABACE1KDM4EPOLB
SCHEMBL9543347 0.79 MEN1 (0.44) MEN1KMT2ABACE1KDM4EPOLB
SCHEMBL1625900 0.78 BACE1 (0.47) MEN1KMT2ABACE1KDM4E
SCHEMBL1625898 0.78 BACE1 (0.47) MEN1KMT2ABACE1KDM4E
SCHEMBL5703818 0.77 MEN1 (0.51) MEN1KMT2ABACE1KDM4E
SCHEMBL19245779 0.77 TAAR1 (0.46) MEN1KMT2ABACE1KDM4E
SCHEMBL27635276 0.77 GLI1 (0.46) MEN1KMT2ABACE1KDM4E
SCHEMBL19352857 0.76 BACE1 (0.45) BACE1ALOX5

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
US-5480910-A 4-(2-(2-HYDROXY-2-PHENYLETHYLAMINO)ETHOXY)PHENYLACETIC ACID OR SALT IS ADMINISTERED FOR GASTROINTESTINAL DISORDERS ZENECA LIMITED (GB) 1996-01-02 US disclosed
EP-0516349-B1 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LTD (GB) 1995-09-20 EP disclosed
US-5393779-A Anti-obesity, hypoglycemic, adrenergic blocking agents ZENECA LIMITED (GB) 1995-02-28 US disclosed
EP-0516349-A2 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LIMITED (GB) 1992-12-02 EP disclosed