SCHEMBL11875757

SCHEMBL11875757

CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c(S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.52
▸ ADRB1 P08588 7/20 0.52
▸ ADRB3 P13945 3/20 0.52
▸ ADRA1D P25100 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ ADRA1B P35368 1/20 0.52
▸ PMP22 Q01453 1/20 0.46

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
SCHEMBL11876927 0.91 ADRB2 (0.58) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL8855348 0.86 ADRB2 (0.55) ADRB2ADRB1ADRB3ADRA1DADRA1A
Hydrochloric Acid SCHEMBL8855375 0.84 ADRB2 (0.56) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11876329 0.81 PMP22 (0.66) ADRB2ADRB1ADRB3ADRA1APMP22
SCHEMBL8855298 0.81 ADRB2 (0.52) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11670211 0.80 ADRB2 (0.63) ADRB2ADRB1ADRB3PMP22
SCHEMBL11878876 0.80 ADRB2 (0.72) ADRB2ADRB1ADRB3
SCHEMBL8855343 0.80 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL11132431 0.80 ADRB2 (0.51) ADRB2ADRB1ADRB3
SCHEMBL10909213 0.80 ADRB2 (0.52) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3943254-A ALPHA-AMINOMETHYL-4-HYDROXY-3-SULFAMYL BENZYL ALCOHOLS OR 4-HYDROXY-3-SULFAMYL-PHENETHYLAMINE SMITHKLINE CORPORATION (US) 1976-03-09 — — US disclosed
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