SCHEMBL8560561

SCHEMBL8560561

[O]Cc1ccc(OCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 2/20 0.39
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRB P23467 1/20 0.37
PTPN6 P29350 1/20 0.37
CDC25A P30304 1/20 0.37
PTPN11 Q06124 1/20 0.37
APP P05067 4/20 0.35
MAOB P27338 8/20 0.35
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6640341 0.81 PTPRZ1 (0.37) PTPRZ1USP2MAPTTSHRPTPRC
SCHEMBL506786 0.81 MAOB (0.53) MAOB
SCHEMBL8560939 0.78 HTT (0.48) PTPRZ1USP2MAPTTSHRPTPRC
SCHEMBL2566681 0.76 MAOB (0.49) USP2MAPTTSHRAPPMAOB
SCHEMBL9578594 0.76 LTA4H (0.44) USP2MAPTTSHRAPP
SCHEMBL7762488 0.76 KDM4E (0.41) USP2MAPTTSHRAPPMAOB
SCHEMBL10178017 0.76 DRD2 (0.41) MAPTMAOB
SCHEMBL3032947 0.76 ALDH1A1 (0.45) MAPTRAB9ASMN1; SMN2
SCHEMBL9578562 0.74 PKM (0.53) USP2MAPTTSHRNPC1RAB9A
SCHEMBL506251 0.73 MAOB (0.46) MAPTMAOBMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866793-A4 1998-10-07 EP disclosed
EP-0866793-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1998-09-30 EP disclosed
WO-1997001562-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1997-01-16 WO disclosed