SCHEMBL8938156

SCHEMBL8938156

COC(=O)Cc1ccc(OCCNCC(O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
ADRB3 P13945 8/20 0.46
ADRA1A P35348 1/20 0.46
ADRB1 P08588 7/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL8938151 1.00 ALOX15 (0.57) ALOX15KDM4EALDH1A1GAAADRB3
Hydrochloric Acid SCHEMBL8938117 0.99 ALOX15 (0.59) ALOX15KDM4EALDH1A1GAAADRB3
Hydrochloric Acid SCHEMBL8938120 0.99 ALOX15 (0.59) ALOX15KDM4EALDH1A1GAAADRB3
SCHEMBL9188713 0.90 ALOX15 (0.71) ALOX15KDM4EALDH1A1GAAADRB3
SCHEMBL9189156 0.90 ALOX15 (0.71) ALOX15KDM4EALDH1A1GAAADRB3
SCHEMBL9192393 0.89 ALOX15 (0.58) ALOX15KDM4EALDH1A1GAAADRB3
SCHEMBL9192385 0.89 ALOX15 (0.58) ALOX15KDM4EALDH1A1GAAADRB3
Hydrochloric Acid SCHEMBL9192057 0.88 ALOX15 (0.60) ALOX15KDM4EALDH1A1GAAADRB3
Hydrochloric Acid SCHEMBL9192053 0.88 ALOX15 (0.60) ALOX15KDM4EALDH1A1GAAADRB3
Hydrochloric Acid SCHEMBL9193286 0.86 ALOX15 (0.62) ALOX15KDM4EGAAADRB3ADRB1

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
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
US-5502078-A Chemical compounds ZENECA LIMITED (GB) 1996-03-26 US disclosed
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