SCHEMBL29323004

SCHEMBL29323004

COCC(C=O)Cc1cnccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
HSD17B10 Q99714 4/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
KDM6B O15054 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
HTT P42858 2/20 0.33
CFTR P13569 1/20 0.33
AXL P30530 1/20 0.33
MEN1 O00255 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
SCHEMBL3961945 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL845125 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL28613135 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL23639428 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL21786269 0.73 ALDH1A1 (0.63) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL25827431 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL23674679 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL15832960 0.72 ALDH1A1 (0.57) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL19838578 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL29792765 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EGLAGAALMNA

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-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed