SCHEMBL6168787

SCHEMBL6168787

COc1ccc(Oc2ccc(-c3nc(OS(=O)(=O)C(F)(F)F)co3)cc2)cc1.N#Cc1ccc(OCOc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.40
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
STAT3 P40763 2/20 0.36
ACP1 P24666 1/20 0.36
GSK3B P49841 1/20 0.36
LTA4H P09960 1/20 0.35
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL6168788 0.93 MMP13 (0.42) MMP13ENPP3ENPP1PDE4APDE4C
SCHEMBL5836387 0.85 ENPP3 (0.46) ENPP3ENPP1PDE4DRAB9AKDM4E
SCHEMBL1003937 0.82 ENPP3 (0.49) ENPP3ENPP1PDE4DRAB9AKDM4E
SCHEMBL6168616 0.79 HDAC1 (0.41) ENPP3ENPP1PDE4DRAB9AKDM4E
SCHEMBL15577165 0.75 PPARG (0.36) ENPP3ENPP1PDE4APDE4CPDE4D
SCHEMBL84528 0.74 ALDH1A1 (0.42) ENPP3ENPP1PDE4APDE4CPDE4D
SCHEMBL3707228 0.74 ALDH1A1 (0.42) ENPP3ENPP1PDE4APDE4CPDE4D
SCHEMBL3035638 0.74 NPC1 (0.45) RAB9AKDM4EALDH1A1MAPTHPGD
SCHEMBL1001041 0.71 SCN10A (0.45) ENPP3ENPP1GSK3BNPSR1
SCHEMBL1004940 0.71 HDAC1 (0.42) ENPP3ENPP1RAB9AHPGDKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501515-B1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-02 EP disclosed