SCHEMBL8204487

SCHEMBL8204487

c1ccc2c(c1)O[C](C1COOc3ccccc31)O2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NISCH Q9Y2I1 1/20 0.33
CYP19A1 P11511 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
Water SCHEMBL27760268 0.75
SCHEMBL3924300 0.73 MAOA (0.32) MAOAMAOBMAPT
SCHEMBL28596155 0.71 MAOA (0.34) MAOAMAOBNISCHCYP19A1MEN1
SCHEMBL7347250 0.71 KDM1A (0.35) MAOAMAOBNISCHATM
SCHEMBL449446 0.71 MAOA (0.34) MAOAMAOBNISCHCYP19A1MEN1
SCHEMBL17185573 0.71 MAOA (0.34) MAOAMAOBNISCHCYP19A1MEN1
SCHEMBL7022979 0.67 CYP19A1 (0.32) MAOAMAOBCYP19A1ATM
SCHEMBL2481773 0.67 MAOA (0.35) MAOAMAOBATM
SCHEMBL7534538 0.67 MAOA (0.31) MAOAMAOBMEN1LMNAMAPT
SCHEMBL7374209 0.66 MAOA (0.31) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991620-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 2000-04-12 EP claimed
WO-1998057933-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1998-12-23 WO claimed