SCHEMBL7097124

SCHEMBL7097124

COc1cc(C2CCC(CC(C)=O)C2)ccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.59
CSF1R P07333 6/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 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
SCHEMBL7101436 0.82 CYSLTR2 (0.56) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29932805 0.81 MAOB (0.50)
SCHEMBL7098576 0.81 MAOB (0.50)
SCHEMBL7104449 0.78 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPKM
SCHEMBL8413386 0.76 CYSLTR2 (0.49) RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL743919 0.73 CSF1R (0.66) CSF1R
SCHEMBL23364824 0.72 KCNH2 (0.45) APPPKMMEN1KMT2AKDM4E
SCHEMBL23364576 0.72 CYSLTR2 (0.53) PKMSMN1; SMN2KMT2AKDM4E
SCHEMBL7104596 0.72 CYSLTR2 (0.49) RAB9A
SCHEMBL10731769 0.71 MTNR1A (0.64) APPNPC1RAB9APKMHPGD

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
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed