SCHEMBL29138043

SCHEMBL29138043

CC(Oc1ccccc1)c1cccc(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.50
▸ MGLL Q99685 1/20 0.44
▸ FFAR1 O14842 1/20 0.42
▸ LTB4R Q15722 3/20 0.41
▸ LTB4R2 Q9NPC1 3/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL30688631 1.00 ENPP2 (0.50) ENPP2MGLLFFAR1LTB4RLTB4R2
SCHEMBL10269886 0.81 CA1 (0.53) ENPP2MGLLFFAR1LTB4RLTB4R2
SCHEMBL2559833 0.80 ENPP2 (0.52) ENPP2MGLLCA4CA6CA5A
SCHEMBL17319365 0.78 SLC6A4 (0.49) FFAR1ADRA2AADRA2BADRA2CMAOA
SCHEMBL4363303 0.76 FFAR1 (0.56) FFAR1LTB4RLTB4R2ALOX5ADRA2A
SCHEMBL31430960 0.75 ENPP2 (0.50) ENPP2MGLLCA4CA6CA5A
SCHEMBL129343 0.75 ENPP2 (0.50) ENPP2MGLLCA4CA6CA5A
SCHEMBL30688646 0.75 IDO1 (0.49) FFAR1LTB4RLTB4R2ALOX5PTGS1
SCHEMBL22290422 0.75 IDO1 (0.49) FFAR1LTB4RLTB4R2ALOX5PTGS1
SCHEMBL17319353 0.75 SLC6A4 (0.49) FFAR1

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
CN-117343081-A MAT2A inhibitor, pharmaceutical composition and application thereof 南京正大天晴制药有限公司 2024-01-05 — — CN disclosed
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