SCHEMBL6990109

SCHEMBL6990109

COc1ccc(CCN(CCc2ccc(OC)cc2)C(=O)c2cc(C(=O)O)ccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.53
LPAR5 Q9H1C0 2/20 0.53
KDM4C Q9H3R0 4/20 0.48
KDM5A P29375 3/20 0.48
KDM5B Q9UGL1 3/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KDM6B O15054 1/20 0.46
TET3 O43151 1/20 0.46
KDM4A O75164 1/20 0.46
BBOX1 O75936 1/20 0.46
MAPT P10636 1/20 0.46
KDM5C P41229 1/20 0.46
ASPH Q12797 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
TET2 Q6N021 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.46
KDM7A Q6ZMT4 1/20 0.46
KDM8 Q8N371 1/20 0.46
TET1 Q8NFU7 1/20 0.46

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
SCHEMBL6990114 0.93 LPAR1 (0.49) LPAR1LPAR5ALDH1A1SMN1; SMN2ALOX5
SCHEMBL6986947 0.87 LPAR1 (0.51) LPAR1LPAR5KDM4CKDM5AKDM5B
SCHEMBL6239722 0.86 KDM5B (0.49) LPAR1LPAR5KDM4CKDM5AKDM5B
SCHEMBL6985928 0.86 KDM5B (0.49) KDM4CKDM5AKDM5BALDH1A1KDM4E
SCHEMBL6993029 0.86 ALDH1A1 (0.48) KDM4CKDM5AKDM5BALDH1A1KDM4E
SCHEMBL6235516 0.84 KDM4C (0.49) LPAR1LPAR5KDM4CKDM5AKDM5B
SCHEMBL6990533 0.80 SLC2A1 (0.53) LPAR1LPAR5ALDH1A1MAPTMEN1
SCHEMBL6986949 0.80 SLC2A1 (0.48) LPAR1LPAR5POLBNR3C2SLC2A1
SCHEMBL18864232 0.80 FTO (0.53) KDM4CKDM5AKDM5BALDH1A1KDM4E
SCHEMBL6989313 0.80 SMN1; SMN2 (0.47) LPAR1LPAR5KDM4CKDM5AKDM5B

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