SCHEMBL7101436

SCHEMBL7101436

CC(=O)CC1CCC(c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.56
CYSLTR1 Q9Y271 2/20 0.56
MRGPRX4 Q96LA9 1/20 0.53
MAOB P27338 3/20 0.50
KCNH2 Q12809 1/20 0.47
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
ALOX5 P09917 2/20 0.45
MMP13 P45452 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PARP10 Q53GL7 1/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL8413386 0.93 CYSLTR2 (0.49) CYSLTR2CYSLTR1MRGPRX4MAOBKCNH2
SCHEMBL29932805 0.87 MAOB (0.50) CYSLTR2CYSLTR1MRGPRX4MAOBKCNH2
SCHEMBL7098576 0.87 MAOB (0.50) CYSLTR2CYSLTR1MRGPRX4MAOBKCNH2
SCHEMBL7104596 0.85 CYSLTR2 (0.49) CYSLTR2CYSLTR1KCNH2KDM1ARAB9A
SCHEMBL7097124 0.82 APP (0.59) KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL7101427 0.81 CYSLTR2 (0.51) CYSLTR2CYSLTR1MRGPRX4MAOBKCNH2
SCHEMBL27546384 0.79 RAB9A (0.56) CYSLTR2CYSLTR1MRGPRX4MAOBKCNH2
SCHEMBL7103500 0.79 ESR2 (0.53) CYSLTR2CYSLTR1
SCHEMBL10272647 0.78 MRGPRX4 (0.64) MRGPRX4MAOBKCNH2KDM1AMAOA
SCHEMBL23364576 0.77 CYSLTR2 (0.53) CYSLTR2CYSLTR1MRGPRX4MAOBKCNH2

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