SCHEMBL21143085

SCHEMBL21143085

CC(C)C(=O)C(O)Cc1ccc(O)cc1.CC(C)C(O)C(=O)Cc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 3/20 0.40
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
CA2 P00918 2/20 0.39
CAMK2A Q9UQM7 1/20 0.39
SLC7A5 Q01650 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FOLH1 Q04609 1/20 0.35
MIF P14174 1/20 0.35

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
SCHEMBL19361687 0.86 TAAR1 (0.52) SLC6A2TAAR1ESR1ESR2CA2
SCHEMBL449728 0.86 CA2 (0.50) SLC6A2TAAR1ESR1ESR2CA2
SCHEMBL106671 0.86 TAAR1 (0.52) SLC6A2TAAR1ESR1ESR2CA2
SCHEMBL450960 0.78 SLC6A2 (0.56) SLC6A2TAAR1ESR1ESR2CA2
SCHEMBL8936359 0.74 CA2 (0.56) SLC6A2TAAR1ESR1ESR2CA2
SCHEMBL107523 0.73 ESR1 (0.49) SLC6A2TAAR1ESR1ESR2CA2
SCHEMBL108145 0.72 CA2 (0.54) SLC6A2TAAR1ESR1ESR2CA2
SCHEMBL105512 0.72 ESR1 (0.47) SLC6A2TAAR1ESR1ESR2SLC7A5
SCHEMBL16431461 0.72 FNTA (0.59) SLC6A2CA2CAMK2ASLC7A5MME
SCHEMBL108469 0.72 CA2 (0.46) SLC6A2TAAR1ESR1ESR2CA2

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-11332723-B2 Engineered microorganisms for production of commodity chemicals and cellular biomass THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-17 US disclosed
US-20190218527-A1 Engineered Microorganisms for Production of Commodity Chemicals and Cellular Biomass THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-18 US disclosed