SCHEMBL31172447

SCHEMBL31172447

O=CC(=O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.70
▸ PLOD2 O00469 2/20 0.56
▸ PLOD3 O60568 2/20 0.56
▸ PLOD1 Q02809 2/20 0.56
▸ PRKDC P78527 3/20 0.53
▸ PIK3CD O00329 2/20 0.53
▸ PIK3CA P42336 2/20 0.53
▸ PIK3CB P42338 2/20 0.53
▸ PIK3CG P48736 2/20 0.53
▸ MAPT P10636 6/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50

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
SCHEMBL303084 0.83 KMO (0.77) KMOPLOD2PLOD3PLOD1PRKDC
SCHEMBL30634127 0.83 KMO (1.00) KMOPLOD2PLOD3PLOD1PRKDC
SCHEMBL65857 0.83 KMO (1.00) KMOPLOD2PLOD3PLOD1PRKDC
SCHEMBL7135274 0.82 MAOB (0.61) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4251811 0.81 KMO (0.74) KMOPLOD2PLOD3PLOD1PRKDC
SCHEMBL13724478 0.81 KMO (0.74) KMOPLOD2PLOD3PLOD1PRKDC
Hydrochloric Acid SCHEMBL14742166 0.81 KMO (0.74) KMOPLOD2PLOD3PLOD1PRKDC
Water SCHEMBL5011619 0.81 MAOB (0.60) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4437239 0.81 KMO (0.68) KMOPLOD2PLOD3PLOD1PRKDC
SCHEMBL4831334 0.80 KMO (0.72) KMOPLOD2PLOD3PLOD1MAPT

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
WO-2024210572-A1 NOVEL IMIDAZOLE DERIVATIVE AND USE THEREOF 주식회사 펠레메드 2024-10-10 — — WO disclosed
Send feedback