SCHEMBL20114817

SCHEMBL20114817

c1cc(-c2ccc3c(c2)Oc2ccccc2N3c2cccc3c2oc2ccccc23)cc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4ccccc45)c3c2)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
PLA2G10 O15496 1/20 0.32
PRKDC P78527 1/20 0.32

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
SCHEMBL20114811 0.92 PLA2G2A (0.32) ALOX5PLA2G2APLA2G4APLA2G10PRKDC
SCHEMBL20114356 0.92 ALOX5 (0.34) ALOX5PLA2G2APLA2G4APLA2G10PRKDC
SCHEMBL20114154 0.91 PLA2G2A (0.31) ALOX5PLA2G2APLA2G4APLA2G10PRKDC
SCHEMBL20114262 0.91 PLA2G2A (0.31) ALOX5PLA2G2APLA2G4APLA2G10PRKDC
SCHEMBL20114813 0.91 ALOX5 (0.30) ALOX5
SCHEMBL20114263 0.91 ALOX5 (0.30) ALOX5
SCHEMBL20114140 0.89 ALDH1A1 (0.31) PLA2G2APLA2G4APLA2G10
SCHEMBL20114377 0.89 ALDH1A1 (0.31) PLA2G2APLA2G4APLA2G10
SCHEMBL20114378 0.88 ALDH1A1 (0.30)
SCHEMBL20114111 0.87

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-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed