SCHEMBL8225538

SCHEMBL8225538

CCCc1ccc(Cl)c(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.46
EPHX1 P07099 1/20 0.43
KDM4A O75164 2/20 0.40
KDM5A P29375 2/20 0.40
NOTUM Q6P988 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
KCNN4 O15554 1/20 0.39
RORC P51449 3/20 0.38
SIGMAR1 Q99720 2/20 0.37
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PDE3A Q14432 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL8185415 0.86 EPHX1 (0.44) PGK1EPHX1KDM4AKDM5ANOTUM
SCHEMBL27814902 0.83 EPHX1 (0.43) PGK1EPHX1KDM4AKDM5ANOTUM
SCHEMBL10223956 0.83 EPHX1 (0.43) PGK1EPHX1KDM4AKDM5ANOTUM
SCHEMBL14405811 0.81 KCNH2 (0.46) KCNN4SIGMAR1KCNH2TMEM97
SCHEMBL9824390 0.81 EPHX1 (0.45) PGK1EPHX1KDM4AKDM5ANOTUM
SCHEMBL12093362 0.80 KDM4A (0.45) PGK1EPHX1KDM4AKDM5ANOTUM
SCHEMBL2240142 0.79 NOTUM (0.51) PGK1EPHX1KDM4AKDM5ANOTUM
SCHEMBL4374816 0.79 CSNK2A1 (0.47) PGK1EPHX1KDM4AKDM5ANOTUM
SCHEMBL934710 0.79 EPHX1 (0.44) PGK1EPHX1KDM4AKDM5ANOTUM
SCHEMBL3754799 0.79 EPHX1 (0.44) PGK1EPHX1KDM4AKDM5ANOTUM

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
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 WO disclosed