SCHEMBL8976401

SCHEMBL8976401

COC(=O)Cc1ccc(OCCNC[C@H](O)c2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.78
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ADRB3 P13945 12/20 0.56
ADRB1 P08588 4/20 0.56
LTA4H P09960 1/20 0.55
ALDH1A1 P00352 2/20 0.52
ATM Q13315 1/20 0.49

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
SCHEMBL8976399 1.00 ALOX15 (0.78) ALOX15SMN1; SMN2KDM4EGAATDP1
Hydrochloric Acid SCHEMBL8976161 0.99 ALOX15 (0.80) ALOX15SMN1; SMN2KDM4EGAATDP1
Hydrochloric Acid SCHEMBL8976468 0.99 ALOX15 (0.80) ALOX15SMN1; SMN2KDM4EGAATDP1
Talibegron SCHEMBL328977 0.89 ALOX15 (0.97) ALOX15SMN1; SMN2KDM4EGAATDP1
Talibegron SCHEMBL3699503 0.89 ALOX15 (0.97) ALOX15SMN1; SMN2KDM4EGAATDP1
Talibegron SCHEMBL6060362 0.89 ALOX15 (0.97) ALOX15SMN1; SMN2KDM4EGAATDP1
Talibegron SCHEMBL8976330 0.88 ALOX15 (1.00) ALOX15SMN1; SMN2KDM4EGAATDP1
Talibegron SCHEMBL1230810 0.88 ALOX15 (1.00) ALOX15SMN1; SMN2KDM4EGAATDP1
SCHEMBL9387762 0.87 ALOX15 (0.73) ALOX15SMN1; SMN2KDM4EGAATDP1
SCHEMBL9189227 0.87 ADRB3 (0.60) ALOX15ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516349-B1 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LTD (GB) 1995-09-20 EP claimed
US-5393779-A Anti-obesity, hypoglycemic, adrenergic blocking agents ZENECA LIMITED (GB) 1995-02-28 US claimed
EP-0516349-A2 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LIMITED (GB) 1992-12-02 EP claimed
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-5434184-A B3-adrenoceptor agonist ZENECA LIMITED (GB) 1995-07-18 US 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