SCHEMBL9192309

SCHEMBL9192309

Cc1cccc(C(O)CNCCOc2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.76
PPARD Q03181 1/20 0.58
ADRB3 P13945 14/20 0.53
ADRB1 P08588 12/20 0.53
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL9193546 0.90 ALOX15 (0.61) ALOX15PPARDADRB3ADRB1ATM
Talibegron SCHEMBL3699503 0.87 ALOX15 (0.97) ALOX15ADRB3ADRB1KDM4EGAA
Talibegron SCHEMBL328977 0.87 ALOX15 (0.97) ALOX15ADRB3ADRB1KDM4EGAA
Talibegron SCHEMBL6060362 0.87 ALOX15 (0.97) ALOX15ADRB3ADRB1KDM4EGAA
SCHEMBL9192021 0.87 ALOX15 (0.76) ALOX15ADRB3ADRB1
SCHEMBL9186507 0.87 ALOX15 (0.76) ALOX15PPARDADRB3ADRB1
SCHEMBL9192035 0.87 ALOX15 (0.76) ALOX15PPARDADRB3ADRB1
Talibegron SCHEMBL1230810 0.86 ALOX15 (1.00) ALOX15ADRB3ADRB1KDM4EGAA
Talibegron SCHEMBL8976330 0.86 ALOX15 (1.00) ALOX15ADRB3ADRB1KDM4EGAA
SCHEMBL9188713 0.84 ALOX15 (0.71) ALOX15ADRB3ADRB1KDM4EGAA

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-0516350-B1 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LTD (GB) 1995-09-20 EP claimed
EP-0516350-A2 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LIMITED (GB) 1992-12-02 EP claimed
EP-0516350-B1 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LTD (GB) 1995-09-20 EP disclosed
EP-0516350-A2 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LIMITED (GB) 1992-12-02 EP disclosed