SCHEMBL1697010

SCHEMBL1697010

CCCCc1ccc2c(Nc3cccc(OCC(=O)O)c3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.56
PPARG P37231 2/20 0.56
SIRT2 Q8IXJ6 3/20 0.46
PTGIR P43119 1/20 0.45
PLA2G4B P0C869 1/20 0.43
MAPK1 P28482 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
MDH1 P40925 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MTNR1A P48039 1/20 0.42
CDC25B P30305 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42

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
SCHEMBL12503324 0.97 PPARA (0.60) PPARAPPARGSIRT2PTGIRPLA2G4B
SCHEMBL370943 0.94 PPARA (0.49) PPARAPPARGSIRT2MAPK1CTSV
SCHEMBL367806 0.87 PLA2G4B (0.57) PPARAPPARGSIRT2PLA2G4BMTNR1A
SCHEMBL343814 0.84 PPARA (0.54) PPARAPPARGPTGIRMAPK1TRPV1
SCHEMBL368053 0.82 PPARA (0.44) PPARAPPARGPTGIRPLA2G4BMAPK1
SCHEMBL1697117 0.81 SIRT2 (0.41) PPARAPPARGSIRT2CTSVCTSL
SCHEMBL345673 0.81 PPARA (0.58) PPARAPPARGPTGIRMAPK1MDH1
SCHEMBL344565 0.81 PPARA (0.60) PPARAPPARGPTGIRPLA2G4BMAPK1
SCHEMBL345013 0.81 PPARA (0.60) PPARAPPARGPTGIRPLA2G4BMAPK1
SCHEMBL12503223 0.80 MAPK1 (0.42) PPARAPPARGSIRT2MAPK1CTSV

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-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 WO disclosed