SCHEMBL6986949

SCHEMBL6986949

COc1cccc(CCN(CCc2cccc(OC)c2)C(=O)c2ccnc(C(=O)N(CCc3cccc(OC)c3)CCc3cccc(OC)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.48
SLC2A4 P14672 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48
NR3C2 P08235 1/20 0.48
LPAR1 Q92633 1/20 0.47
LPAR5 Q9H1C0 1/20 0.47
AOC3 Q16853 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
SLC2A8 Q9NY64 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 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
SCHEMBL6986947 0.93 LPAR1 (0.51) SLC2A1SLC2A4POLBHPGDRECQL
SCHEMBL6989317 0.90 SMN1; SMN2 (0.47) SLC2A1SLC2A4POLBPTGDR2CHRM2
SCHEMBL6990355 0.88 SLC2A1 (0.61) SLC2A1SLC2A4POLBHPGDRECQL
SCHEMBL6990114 0.87 LPAR1 (0.49) SLC2A1SLC2A4HPGDNR3C2LPAR1
SCHEMBL6989313 0.83 SMN1; SMN2 (0.47) POLBLPAR1LPAR5PTGDR2
SCHEMBL6989792 0.82 MEN1 (0.45) LPAR1LPAR5
SCHEMBL6993032 0.82 KMT2A (0.49) AOC3
SCHEMBL6990109 0.80 LPAR1 (0.53) SLC2A1POLBNR3C2LPAR1LPAR5
SCHEMBL6985934 0.78 MAPT (0.43) SLC2A1POLBHPGDNR3C2HDAC1
SCHEMBL6239726 0.78 ALDH1A1 (0.46)

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-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed