SCHEMBL8675573

SCHEMBL8675573

COc1cc(CCC(C)=O)ccc1OCC(O)CNC(C)C

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.57
ADRB1 P08588 2/20 0.57
SLC22A1 O15245 1/20 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
SCHEMBL11021604 0.91 ADRB2 (0.57) ADRB2ADRB1
SCHEMBL11020432 0.91 ADRB2 (0.69) ADRB2ADRB1
SCHEMBL11021644 0.88 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL11018359 0.87 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL8676380 0.85 MEN1 (0.53) ADRB2ADRB1
SCHEMBL20552945 0.85 KMT2A (0.51) ADRB2ADRB1SLC22A1
SCHEMBL20552576 0.85 KMT2A (0.51) ADRB2ADRB1SLC22A1
SCHEMBL9815376 0.85 ADRB2 (0.53) ADRB2ADRB1
SCHEMBL11859240 0.84 ABCB1 (0.54) ADRB2ADRB1
Hydrochloric Acid SCHEMBL9815343 0.84 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804603-A ADMINISTERING AS HYPOTENSIVE AGENTS; SIDE EFFECT REDUCTION; TOXICITY; LOWERS BLOOD PRESSURE. NATIONAL SCIENCE COUNCIL (TW) 1998-09-08 US disclosed
US-5723141-A FLUAZINAM MIXTURE WITH SURFACTANT, ACID, CARRIER, AND ANTIFOAM AGENT; UNIFORMITY, DISCOLORATION INHIBITION, NONCLOGGING, DUSTLESS ISHIHARA SANGYO KAISHA LTD. (JP) 1998-03-03 US disclosed