SCHEMBL8445521

SCHEMBL8445521

CC(C)CCCC(C)CCOc1cc(B(O)O)ccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ FDPS P14324 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ GGPS1 O95749 1/20 0.33

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
SCHEMBL27459272 0.81 HTR7 (0.51) KDM4EALDH1A1ADRB2SMN1; SMN2PKM
SCHEMBL30661998 0.79 KDM4E (0.45) KDM4EALDH1A1ADRB2SMN1; SMN2MEN1
SCHEMBL7925716 0.79 KDM4E (0.45) KDM4EALDH1A1ADRB2SMN1; SMN2MEN1
SCHEMBL6859375 0.76 LTB4R (0.37) KDM4EALDH1A1ADRB2TDP1FDPS
SCHEMBL6248055 0.76 RARB (0.42) KDM4EALDH1A1ADRB2TDP1FDPS
SCHEMBL2563645 0.75 ENPP2 (0.46) KDM4EALDH1A1TDP1FDPSALOX5
SCHEMBL2553952 0.74 FDPS (0.47) ALDH1A1TDP1FDPSALOX5HTT
SCHEMBL6872794 0.74 TLR8 (0.36) KDM4EALDH1A1ADRB2TDP1FDPS
SCHEMBL7135476 0.74 RARB (0.50) TDP1FDPSALOX5HTTKMT2A
SCHEMBL6228875 0.74 TDP1 (0.37) KDM4EALDH1A1ADRB2TDP1FDPS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944663-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS Celanese Ventures GmbH (DE) 1999-09-29 — — EP disclosed
WO-1998027136-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 — — WO disclosed
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