SCHEMBL11210001

SCHEMBL11210001

CCCCCOc1cccc(C(O)CN)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.57
TSHR P16473 2/20 0.55
CYSLTR2 Q9NS75 4/20 0.55
CYSLTR1 Q9Y271 4/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
MEN1 O00255 1/20 0.55
GMNN O75496 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
MTOR P42345 1/20 0.55

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
SCHEMBL18053741 0.91 KMT2A (0.49) ALOX5TSHRCYSLTR2CYSLTR1MAPK1
SCHEMBL18053745 0.91 KMT2A (0.49) ALOX5TSHRCYSLTR2CYSLTR1MAPK1
SCHEMBL15078762 0.90 ALOX5 (0.48) ALOX5TSHRCYSLTR2CYSLTR1MAPK1
SCHEMBL17805709 0.89 ALOX5 (0.47) ALOX5TSHRCYSLTR2CYSLTR1MAPK1
SCHEMBL16451181 0.89 ALOX5 (0.47) ALOX5TSHRCYSLTR2CYSLTR1MAPK1
SCHEMBL29818747 0.89 CYSLTR2 (0.56) ALOX5TSHRCYSLTR2CYSLTR1MAPK1
SCHEMBL2207435 0.89 CYSLTR2 (0.56) ALOX5TSHRCYSLTR2CYSLTR1MAPK1
SCHEMBL19291629 0.89 CYSLTR2 (0.56) ALOX5TSHRCYSLTR2CYSLTR1MAPK1
SCHEMBL15016887 0.88 ALOX5 (0.56) ALOX5TSHRCYSLTR2CYSLTR1MAPK1
SCHEMBL19291557 0.87 TSHR (0.55) ALOX5TSHRCYSLTR2CYSLTR1MAPK1

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-0024616-B1 1-(3'-ACYLOXYPHENYL)-2-AMINOETHANOLS, THEIR ACID ADDITION SALTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION Klinge Pharma GmbH (DE) 1983-02-09 EP claimed
EP-0024616-B1 1-(3'-ACYLOXYPHENYL)-2-AMINOETHANOLS, THEIR ACID ADDITION SALTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION Klinge Pharma GmbH (DE) 1983-02-09 EP disclosed
EP-0024616-A1 1-(3'-Acyloxyphenyl)-2-aminoethanols, their acid addition salts, pharmaceutical compositions containing them and process for their preparation Klinge Pharma GmbH (DE) 1981-03-11 EP disclosed
EP-0024616-A1 1-(3'-Acyloxyphenyl)-2-aminoethanols, their acid addition salts, pharmaceutical compositions containing them and process for their preparation Klinge Pharma GmbH (DE) 1981-03-11 EP disclosed