SCHEMBL29138052

SCHEMBL29138052

OB(O)c1cccc(COc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.65
F10 P00742 1/20 0.54
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
FFAR1 O14842 1/20 0.49
NR4A2 P43354 2/20 0.49
MAOB P27338 3/20 0.49
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL30688670 1.00 ENPP2 (0.65) ENPP2F10CYP4F2CYP4A11LMNA
SCHEMBL22315 0.90 CYP4F2 (0.58) ENPP2CYP4F2CYP4A11NR4A2MAOB
SCHEMBL15331009 0.87 ENPP2 (0.74) ENPP2LMNAMAOBTP53PKM
SCHEMBL16687434 0.85 ENPP2 (0.68) ENPP2FFAR1MAOBTP53PKM
SCHEMBL2561245 0.85 ENPP2 (0.64) ENPP2MAOBRAB9ASMN1; SMN2MRGPRX4
SCHEMBL2555516 0.84 ENPP2 (0.59) ENPP2CYP4F2CYP4A11MAOBSMN1; SMN2
SCHEMBL2555065 0.84 ENPP2 (0.71) ENPP2MAOBTP53PKMNFKB1
SCHEMBL16687432 0.84 ENPP2 (0.59) ENPP2FFAR1MAOB
SCHEMBL15330536 0.84 NR4A2 (0.56) ENPP2CYP1A2CYP2C19NR4A2MAOB
SCHEMBL31051000 0.84 NR4A2 (0.56) ENPP2CYP1A2CYP2C19NR4A2MAOB

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