SCHEMBL20530469

SCHEMBL20530469

O=C1CCC1[C@@H](O)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC1A1 P43005 1/20 0.40

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
SCHEMBL20530471 1.00 CA1 (0.50) CA1CA2CA7CA9CYP3A4
SCHEMBL20530465 1.00 CA1 (0.50) CA1CA2CA7CA9CYP3A4
SCHEMBL20530467 1.00 CA1 (0.50) CA1CA2CA7CA9CYP3A4
SCHEMBL20530473 1.00 CA1 (0.50) CA1CA2CA7CA9CYP3A4
SCHEMBL2532757 0.79 MEN1 (0.46) CA1CA2CA7CA9CYP3A4
SCHEMBL4841239 0.79 MEN1 (0.46) CA1CA2CA7CA9CYP3A4
SCHEMBL4833311 0.79 MEN1 (0.46) CA1CA2CA7CA9CYP3A4
SCHEMBL6480813 0.79 MEN1 (0.46) CA1CA2CA7CA9CYP3A4
SCHEMBL4833417 0.79 MEN1 (0.46) CA1CA2CA7CA9CYP3A4
SCHEMBL9025636 0.75 PSEN1 (0.41) CYP3A4TSHRMEN1KMT2ASLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165640-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS SUSTAINABLE MOMENTUM, S.L. (ES) 2020-05-28 US disclosed
CN-110945122-A Fructose-6-phosphate aldolase variants for aldol condensation carbon linking 西班牙高等科研理事会 2020-03-31 CN disclosed
EP-3388518-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2018-10-17 EP disclosed