SCHEMBL7765121

SCHEMBL7765121

COC(=O)c1ccc(NC(=O)CCC2CCCCC2NCC(CCc2ccccc2)CC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 9/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.42
GAA P10253 3/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
TP53 P04637 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7765119 0.76 OPRM1 (0.41) MAPTALDH1A1KDM4E
SCHEMBL7763658 0.74 MMP2 (0.47) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL7761478 0.74 MAPT (0.42) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL2839287 0.72 RAB9A (0.74) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL29134529 0.71 RAB9A (0.64) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL29134528 0.71 RAB9A (0.64) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL7102154 0.69 HDAC3 (0.70) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL7765074 0.69 MMP2 (0.51) RAB9ANPC1
SCHEMBL7761465 0.68 MMP1 (0.43) RAB9ANPC1MAPTLMNA
SCHEMBL11446436 0.67 KMT2A (0.50) RAB9AMAPTALDH1A1GAAHTT

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
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