SCHEMBL29598588

SCHEMBL29598588

c1ccc(-c2oc3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.43
▸ PLA2G4A P47712 1/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ DDR2 Q16832 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ CALM1 P0DP23 1/20 0.41
▸ AR P10275 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL22954101 1.00 PLA2G2A (0.43) PLA2G2APLA2G4AMEN1KMT2ALMNA
SCHEMBL12623253 0.98 PLA2G2A (0.43) PLA2G2APLA2G4AMEN1KMT2ALMNA
SCHEMBL12623241 0.90 ENPP3 (0.41) PLA2G2APLA2G4AMEN1KMT2ALMNA
SCHEMBL12623218 0.88 PLA2G2A (0.41) PLA2G2APLA2G4AMEN1KMT2ALMNA
SCHEMBL12623222 0.87 PLA2G2A (0.40) PLA2G2APLA2G4AMEN1KMT2AABCG2
SCHEMBL28319788 0.86 MEN1 (0.44) PLA2G2APLA2G4AMEN1KMT2ALMNA
SCHEMBL25575882 0.86 CA1 (0.42) PLA2G2APLA2G4AMEN1KMT2ALMNA
SCHEMBL27331571 0.85 PLA2G2A (0.43) PLA2G2APLA2G4AMEN1KMT2ALMNA
SCHEMBL27360590 0.84 PLA2G2A (0.42) PLA2G2APLA2G4AMEN1KMT2ALMNA
SCHEMBL20109957 0.83 CA1 (0.40) MEN1KMT2AKDM4ETP53CYP3A4

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
CN-114514225-A Electroactive compounds 杜邦电子公司 2022-05-17 — — CN disclosed
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