SCHEMBL8939329

SCHEMBL8939329

CCCCCCCCC(C#N)CCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
RARB P10826 3/20 0.49
LTA4H P09960 2/20 0.49
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP19A1 P11511 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
LSS P48449 1/20 0.47
SLC2A1 P11166 1/20 0.46
CYP1A2 P05177 1/20 0.44
CHRNB2 P17787 1/20 0.44

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
SCHEMBL8939325 1.00 KDM4E (0.50) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8939349 1.00 KDM4E (0.50) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8939312 0.99 LTA4H (0.50) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL6024662 0.94 ALOX5 (0.53) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8939346 0.92 LSS (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8939352 0.87 LSS (0.50) KDM4EALDH1A1HPGDLTA4HPTGES
SCHEMBL9151222 0.82 LTA4H (0.70) RARBLTA4HCYP2D6CYP3A4CYP19A1
SCHEMBL9153960 0.82 LTA4H (0.70) RARBLTA4HCYP2D6CYP3A4CYP19A1
SCHEMBL9153955 0.82 LTA4H (0.70) RARBLTA4HCYP2D6CYP3A4CYP19A1
SCHEMBL2779495 0.82 LTA4H (0.70) RARBLTA4HCYP2D6CYP3A4CYP19A1

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
US-5498363-A Electrorheological fluid AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-03-12 US disclosed