SCHEMBL11845641

SCHEMBL11845641

COc1ccc(CC(C)NCC(O)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ADRB3 P13945 2/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ LMNA P02545 1/20 0.45

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
SCHEMBL11841272 0.97 ADRB2 (0.49) ADRB2MEN1KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11841269 0.96 ADRB2 (0.48) ADRB2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7147265 0.93 ADRB2 (0.58) ADRB2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7147263 0.93 ADRB2 (0.58) ADRB2MEN1KMT2AALDH1A1MAPK1
SCHEMBL11848510 0.86 MEN1 (0.52) ADRB2MEN1KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11848505 0.85 MEN1 (0.53) ADRB2MEN1KMT2AALDH1A1MAPK1
SCHEMBL11849024 0.83 SIGMAR1 (0.48) ADRB2KMT2AALDH1A1SMN1; SMN2ADRB3
Hydrochloric Acid SCHEMBL11849017 0.82 SIGMAR1 (0.50) ADRB2KMT2AALDH1A1SMN1; SMN2ADRB3
SCHEMBL11847610 0.82 ADRB2 (0.54) ADRB2MAPK1NPSR1ADRB3ADRB1
SCHEMBL7150543 0.81 ADRB1 (0.65) ADRB2ADRB3ADRB1

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-3976695-A Halogen substituted α-(aminoalkyl)-3,4-dihydroxybenzyl alcohols SMITHKLINE CORPORATION (US) 1976-08-24 — — US disclosed
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