SCHEMBL11253640

SCHEMBL11253640

CCOC(=O)C(C)(C)Oc1ccc(CC(C)NCC(O)c2ccc(O)c(CO)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.52
▸ ADRB1 P08588 6/20 0.49
▸ ADRB3 P13945 3/20 0.49
▸ DRD2 P14416 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ PGR P06401 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ NFKB1 P19838 1/20 0.47
▸ HIF1A Q16665 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
SCHEMBL11245718 0.85 ADRB2 (0.54) ADRB2ADRB1ADRB3DRD2CYP1A2
SCHEMBL10661301 0.85 ADRB2 (0.57) ADRB2ADRB1DRD2CYP1A2CYP2D6
SCHEMBL11369783 0.83 ADRB2 (0.51) ADRB2ADRB1ADRB3DRD2CYP1A2
Salmefamol SCHEMBL18458 0.81 ADRB2 (0.67) ADRB2ADRB1ADRB3DRD2CYP1A2
Salmefamol SCHEMBL30361710 0.81 ADRB2 (0.67) ADRB2ADRB1ADRB3DRD2CYP1A2
Salmefamol SCHEMBL20285629 0.81 ADRB2 (0.67) ADRB2ADRB1ADRB3DRD2CYP1A2
SCHEMBL10662403 0.80 ADRB2 (0.52) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL11174404 0.80 ADRB2 (0.61) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL10661718 0.80 ADRB2 (0.63) ADRB2ADRB1ADRB3DRD2CYP1A2
SCHEMBL10662533 0.80 ADRB2 (0.63) ADRB2ADRB1ADRB3DRD2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338333-A ANTIOBESITY, HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1982-07-06 — — US claimed
US-4338333-A ANTIOBESITY, HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1982-07-06 — — US disclosed
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