SCHEMBL22965730

SCHEMBL22965730

CC(C)Cc1ccc(C(=O)OCC(O)CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.58
ADRB1 P08588 16/20 0.58
ADRB3 P13945 16/20 0.58
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL15542640 0.87 PTGS2 (0.63) ADRB2ADRB1ADRB3
SCHEMBL25812488 0.86 MAPT (0.53) ADRB2ADRB1ADRB3MAPT
SCHEMBL22340408 0.86 ADRB2 (0.58) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL4983780 0.85 ADRB2 (0.55) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL879086 0.83 ADRB2 (0.50) ADRB2ADRB1ADRB3
SCHEMBL26326256 0.81 ADRB2 (0.55) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL207184 0.81 ADRB2 (0.68) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL6917173 0.81 MAPT (0.53) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL15262350 0.81 PTGS2 (0.56) ADRB3
SCHEMBL9490020 0.80 CYP4F2 (0.46) ADRB2ADRB1ADRB3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203579-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 US disclosed
US-20220396834-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-12-15 US disclosed
US-20220154271-A1 COMPOSITIONS AND METHODS FOR NUCLEIC ACID SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2022-05-19 US disclosed
US-11236387-B2 Compositions and methods for nucleic acid sequencing Singular Genomics Systems, Inc. (US) 2022-02-01 US disclosed
US-20210040555-A1 COMPOSITIONS AND METHODS FOR NUCLEIC ACID SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2021-02-11 US disclosed