SCHEMBL7761483

SCHEMBL7761483

O=C(O)CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)NC1C(O)OC(CO)C(O)C1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HK1 P19367 2/20 0.57
HK2 P52789 2/20 0.57
SYNJ2 O15056 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ABL1 P00519 1/20 0.46
ALPL P05186 1/20 0.46
POLB P06746 1/20 0.46
ALPI P09923 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALPG P10696 1/20 0.46
PABPC1 P11940 1/20 0.46
RECQL P46063 1/20 0.46
GALK1 P51570 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
MCL1 Q07820 1/20 0.46
RIN1 Q13671 1/20 0.46
EIF4H Q15056 1/20 0.46
MMP2 P08253 11/20 0.43

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
SCHEMBL6266677 0.92 HK1 (0.54) HK1HK2MMP2MMP3MMP1
SCHEMBL7758650 0.73 MMP2 (0.53) MMP2MMP3MMP1MMP12
SCHEMBL7761489 0.72 SYNJ2 (0.39) SYNJ2KDM4EABL1ALPLPOLB
SCHEMBL7758600 0.71 MMP12 (0.60) MMP2MMP3MMP12
SCHEMBL7763694 0.71 MMP2 (0.47) MMP2MMP3MMP1
SCHEMBL15151777 0.71 HK1 (0.56) HK1HK2SYNJ2KDM4EALPI
SCHEMBL7762343 0.70 MMP2 (0.52) MMP2MMP3MMP1MMP12
SCHEMBL7763214 0.70 MMP2 (0.52) MMP2MMP3MMP1MMP12
SCHEMBL7763219 0.70 MMP2 (0.52) MMP2MMP3MMP1MMP12
SCHEMBL24012179 0.69 HK1 (0.55) HK1HK2KDM4E

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