SCHEMBL22812976

SCHEMBL22812976

CC(C)CCC(=O)OCCC(O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CYP19A1 P11511 1/20 0.41
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
MAPT P10636 2/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DGKA P23743 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ACHE P22303 1/20 0.35
MAPK1 P28482 1/20 0.33

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
SCHEMBL4292777 0.89 CYP19A1 (0.49) CA1CYP19A1ADRA2AADRA1AMAPT
SCHEMBL27822920 0.84 ADRA2A (0.46) CYP19A1ADRA2AADRA1AMAPTBLM
SCHEMBL25886908 0.83 CA1 (0.44) CA1CYP19A1ADRA2AADRA1AMAPT
SCHEMBL14308492 0.83 CA1 (0.44) CA1CYP19A1ADRA2AADRA1AMAPT
SCHEMBL333015 0.82 ADRA2A (0.50) CA1CYP19A1ADRA2AADRA1AMAPT
SCHEMBL16858300 0.82 CA1 (0.40) CA1CYP19A1ADRA2AADRA1AMAPT
SCHEMBL2531970 0.81 CA1 (0.43) CA1CYP19A1ADRA2AADRA1AMAPT
SCHEMBL11051092 0.81 CA1 (0.43) CA1CYP19A1ADRA2AADRA1AMAPT
SCHEMBL7047744 0.81 DGKA (0.47) ADRA2AADRA1AMAPTBLML3MBTL1
SCHEMBL127983 0.81 DGKA (0.47) CA1CYP19A1ADRA2AADRA1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed