SCHEMBL7761489

SCHEMBL7761489

O=C(O)CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)N(O)C1COC(CO)C(O)C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYNJ2 O15056 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPI P09923 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALPG P10696 1/20 0.39
PABPC1 P11940 1/20 0.39
RECQL P46063 1/20 0.39
GALK1 P51570 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
MCL1 Q07820 1/20 0.39
RIN1 Q13671 1/20 0.39
EIF4H Q15056 1/20 0.39
MMP2 P08253 6/20 0.38
MMP12 P39900 2/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL7758658 0.75 MMP2 (0.50) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7761483 0.72 HK1 (0.57) SYNJ2KDM4EABL1ALPLPOLB
SCHEMBL7762255 0.70 MMP2 (0.49) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7765346 0.69 MMP2 (0.47) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7758483 0.69 MMP2 (0.47) GAAMMP2MMP12MMP9MMP13
SCHEMBL7758480 0.69 MMP2 (0.47) GAAMMP2MMP12MMP9MMP13
SCHEMBL7758600 0.68 MMP12 (0.60) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7762167 0.65 MMP2 (0.43) MMP2MMP12MMP9MMP13MMP14
SCHEMBL16980966 0.65 MMP12 (0.69) GAAMMP2MMP12MMP9MMP13
SCHEMBL7319632 0.64 GRIK1 (0.64) MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed