SCHEMBL9706240

SCHEMBL9706240

COc1ccc(C(O)CNC(C)(C)CCc2ccc(O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.58
ADRB2 P07550 10/20 0.54
ADRB1 P08588 6/20 0.54
ADRB3 P13945 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC22A1 O15245 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
CHRM1 P11229 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRM1 P35372 1/20 0.49
SLC6A3 Q01959 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
SCHEMBL8855348 0.91 ADRB2 (0.55) ADRB2ADRB1ADRB3SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL8855375 0.90 ADRB2 (0.56) ADRB2ADRB1ADRB3SMN1; SMN2KDM4E
SCHEMBL11137221 0.84 ADRB2 (0.51) CASRADRB2ADRB1ADRB3
SCHEMBL11132431 0.84 ADRB2 (0.51) CASRADRB2ADRB1ADRB3
SCHEMBL8855343 0.84 ADRB2 (0.52) CASRADRB2ADRB1SMN1; SMN2KDM4E
SCHEMBL10909213 0.84 ADRB2 (0.52) CASRADRB2ADRB1SMN1; SMN2KDM4E
Bromide SCHEMBL11135620 0.83 ADRB2 (0.50) CASRADRB2ADRB1ADRB3
Bromide SCHEMBL8855307 0.83 ADRB2 (0.51) CASRADRB2ADRB1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11134717 0.83 ADRB2 (0.53) CASRADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL11134714 0.83 ADRB2 (0.53) CASRADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225165-B1 USE OF PHENETHANOL AMINES TO IMPROVE FAT CONTENT OF SOWS' MILK ELI LILLY AND COMPANY (US) 1992-08-26 EP disclosed
US-4904662-A Raising of pigs ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
EP-0225165-A2 Use of phenethanol amines to improve fat content of sows' milk ELI LILLY AND COMPANY (US) 1987-06-10 EP disclosed