SCHEMBL30251323

SCHEMBL30251323

Cc1cc2c(c(C)c1O)OCCC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.42
▸ MAOA P21397 2/20 0.42
▸ CYP2C9 P11712 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GRM5 P41594 3/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ EEF2K O00418 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ LTB4R Q15722 1/20 0.30
▸ LTB4R2 Q9NPC1 1/20 0.30

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
SCHEMBL7947867 1.00 MAOB (0.42) MAOBMAOACYP2C9MAPTLMNA
SCHEMBL23882692 0.84 MAOB (0.41) MAOBMAOAMAPTLMNAGRM5
SCHEMBL23882824 0.84 MAOB (0.41) MAOBMAOAGRM5
SCHEMBL12316781 0.75 MAOB (0.44) MAOBMAOACYP2C9MAPTLMNA
SCHEMBL30251104 0.75 ESR1 (0.51) MAOBMAOAMAPTLMNAGRM5
SCHEMBL12316602 0.75 ESR1 (0.51) MAOBMAOAMAPTLMNAGRM5
SCHEMBL11352770 0.74 SIRT2 (0.43) MAOBMAOAMAPTLMNAGRM5
SCHEMBL7761381 0.74 TDP2 (0.44) MAOBMAOAMAPTLMNAGRM5
SCHEMBL1652005 0.72 CYP2C9 (0.37) MAOACYP2C9MAPTEEF2KSRC
SCHEMBL25181257 0.71 ALDH1A1 (0.38) MAOBMAOAMAPTLMNAGRM5

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-4126835-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR Janssen Pharmaceutica NV (BE) 2023-02-08 — — EP disclosed
Send feedback