SCHEMBL9661334

SCHEMBL9661334

CC(Cc1ccc(C(=O)O)cc1)NCC(O)c1ccc(O)c(CO)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.69
▸ CASP3 P42574 1/20 0.69
▸ CASP6 P55212 1/20 0.69
▸ ADRB1 P08588 4/20 0.64
▸ ADRB3 P13945 4/20 0.64
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ LMNA P02545 1/20 0.53

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
SCHEMBL10662533 0.90 ADRB2 (0.63) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10661718 0.90 ADRB2 (0.63) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL9664001 0.90 ADRB2 (0.63) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL11138603 0.89 ADRB2 (0.59) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10658025 0.89 ADRB2 (0.59) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL11174404 0.88 ADRB2 (0.61) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10659713 0.88 ADRB2 (0.58) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL4384736 0.88 ADRB2 (0.71) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL4384732 0.88 ADRB2 (0.71) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10661301 0.87 ADRB2 (0.57) ADRB2CASP3CASP6ADRB1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244062-A2 Use of aryl ethanol amine derivatives in the treatment of atherosclerosis BEECHAM GROUP PLC (GB) 1987-11-04 — — EP claimed
EP-0214221-A1 ETHANOLAMINE DERIVATIVES FOR ADMINISTERING TO LIVESTOCK. BEECHAM GROUP PLC (GB) 1987-03-18 — — EP claimed
WO-1986005075-A1 METHOD OF ADMINISTERING ETHANOLAMINE DERIVATIVES TO LIVESTOCK BEECHAM GROUP P.L.C. (GB) 1986-09-12 — — WO claimed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 — — EP claimed
US-5087626-A METHOD FOR INCREASING THE WEIGHT GAIN AND IMPROVING THE FEED UTILIZATION EFFICIENCY OF LIVESTOCK BEECHAM GROUP P.L.C (GB) 1992-02-11 — — US disclosed
US-4880834-A ANIMAL GROWTH REGULATORS BEECHAM GROUP P.L.C. (GB) 1989-11-14 — — US disclosed
US-4873240-A Method for administering ethanolamine derivatives to livestock BEECHAM GROUP P.L.C. (GB) 1989-10-10 — — US disclosed
US-4753962-A HYPOGLYCEMIC, ANTIOBESITY AGENT BEECHAM GROUP P.L.C. (GB) 1988-06-28 — — US disclosed
EP-0244062-A2 Use of aryl ethanol amine derivatives in the treatment of atherosclerosis BEECHAM GROUP PLC (GB) 1987-11-04 — — EP disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 — — US disclosed
EP-0214221-A1 ETHANOLAMINE DERIVATIVES FOR ADMINISTERING TO LIVESTOCK. BEECHAM GROUP PLC (GB) 1987-03-18 — — EP disclosed
WO-1986005075-A1 METHOD OF ADMINISTERING ETHANOLAMINE DERIVATIVES TO LIVESTOCK BEECHAM GROUP P.L.C. (GB) 1986-09-12 — — WO disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 — — US disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 — — EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 — — EP disclosed
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