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
SCHEMBL6239726 0.78 ALDH1A1 (0.46) —
SCHEMBL6985934 0.78 MAPT (0.43) SLC2A1POLBHPGDNR3C2HDAC1

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
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