SCHEMBL6986947

SCHEMBL6986947

COc1cccc(CCN(CCc2cccc(OC)c2)C(=O)c2cc(C(=O)O)ccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.51
LPAR5 Q9H1C0 2/20 0.51
MRGPRX4 Q96LA9 2/20 0.49
AKR1C3 P42330 1/20 0.47
NR3C2 P08235 1/20 0.47
KDM6B O15054 1/20 0.46
KDM5A P29375 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
AOC3 Q16853 1/20 0.45
MEP1B Q16820 1/20 0.45
SLC2A1 P11166 2/20 0.45
SLC2A4 P14672 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6986949 0.93 SLC2A1 (0.48) LPAR1LPAR5NR3C2AOC3SLC2A1
SCHEMBL6989313 0.90 SMN1; SMN2 (0.47) LPAR1LPAR5MRGPRX4KDM6BKDM5A
SCHEMBL6990109 0.87 LPAR1 (0.53) LPAR1LPAR5MRGPRX4AKR1C3NR3C2
SCHEMBL6989317 0.83 SMN1; SMN2 (0.47) SLC2A1SLC2A4RAB9ASMN1; SMN2POLB
SCHEMBL6993029 0.83 ALDH1A1 (0.48) MRGPRX4KDM6BKDM5AKDM4DKDM4C
SCHEMBL6990355 0.81 SLC2A1 (0.61) LPAR1LPAR5SLC2A1SLC2A4SMN1; SMN2
SCHEMBL6990114 0.80 LPAR1 (0.49) LPAR1LPAR5NR3C2AOC3SLC2A1
SCHEMBL6985928 0.79 KDM5B (0.49) AKR1C3NR3C2KDM6BKDM5AKDM4D
SCHEMBL6239722 0.79 KDM5B (0.49) LPAR1LPAR5KDM6BKDM5AKDM4D
SCHEMBL6989792 0.78 MEN1 (0.45) LPAR1LPAR5KDM6BKDM5AKDM4D

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