SCHEMBL9815376

SCHEMBL9815376

COc1ccc(C(=O)CCc2ccc(OC)c(OCC(O)CNC(C)C)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.53
ADRB1 P08588 4/20 0.53
ACHE P22303 1/20 0.51
ADRB3 P13945 3/20 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
Hydrochloric Acid SCHEMBL9815343 0.99 ADRB2 (0.52) ADRB2ADRB1ACHEADRB3
SCHEMBL11021604 0.85 ADRB2 (0.57) ADRB2ADRB1
SCHEMBL11020432 0.85 ADRB2 (0.69) ADRB2ADRB1
SCHEMBL8675573 0.85 ADRB2 (0.57) ADRB2ADRB1
SCHEMBL11021644 0.82 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL11018359 0.81 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL20552576 0.79 KMT2A (0.51) ADRB2ADRB1
SCHEMBL20552945 0.79 KMT2A (0.51) ADRB2ADRB1
SCHEMBL11859240 0.79 ABCB1 (0.54) ADRB2ADRB1ADRB3
SCHEMBL9815306 0.78 ABCB1 (0.56) ADRB2

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
EP-0297435-B1 AMINOPROPANOL DERIVATIVES OF 3-(3'-HYDROXYPHENYL)-1-PROPANONE, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Helopharm W. Petrik GmbH & Co.KG. (DE) 1991-10-16 EP claimed
EP-0285515-B1 Process for the preparation of uranium tetrafluoride and sulfur fluorides by reduction of uranium hexafluoride. COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1991-10-16 EP claimed