SCHEMBL4536170

SCHEMBL4536170

CC(C)(C)OC(=O)c1cn2c(C(=O)O)cccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
HPGDS O60760 1/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
KDM4E B2RXH2 3/20 0.34
GLA P06280 2/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL4543728 0.88 GAA (0.47) GAAHPGDSKDM4EGLAGABRA1
SCHEMBL9753622 0.81 PTGS1 (0.53) GAAPTGS1PTGS2KDM4EGLA
SCHEMBL4542221 0.76 GAA (0.48) GAAPTGS1PTGS2KDM4EALDH1A1
SCHEMBL7975204 0.76 CYP2C9 (0.42) GAAKDM4ERXFP1MAPTALDH1A1
SCHEMBL21816403 0.73 TGFBR1 (0.44) GAAPTGS1PTGS2KDM4EGLA
SCHEMBL7863445 0.70 RAB9A (0.45) GAAPTGS1PTGS2KDM4EGLA
SCHEMBL8608104 0.69 PTGS1 (0.46) GAAPTGS1PTGS2KDM4EGLA
SCHEMBL7872399 0.68 MAP2K1 (0.51) PTGS1PTGS2KDM4ETGFBR1MAPT
SCHEMBL3716081 0.68 PTGS1 (0.49) GAAPTGS1PTGS2KDM4E
SCHEMBL9941787 0.67 GAA (0.43) GAAPTGS1PTGS2TGFBR1MAPT

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
WO-2009140101-A2 IMIDAZOPYRIDINE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009140101-A2 IMIDAZOPYRIDINE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed