SCHEMBL9514935

SCHEMBL9514935

CCCCCCCCOc1ccc(-c2ccc(OCC(C)OCCCCCCCC)nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RARB P10826 3/20 0.43
CYP2D6 P10635 6/20 0.42
CYP19A1 P11511 5/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 3/20 0.42
PLA2G2A P14555 1/20 0.41
NR5A1 Q13285 1/20 0.40
PLA2G4B P0C869 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL9512008 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9514505 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9515878 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9514957 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9515937 0.95 KDM4E (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9512626 0.95 KDM4E (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9515902 0.94 KDM4E (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9512654 0.92 L3MBTL1 (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9514213 0.88 RAB9A (0.43) KDM4EALDH1A1HPGDL3MBTL1RARB
SCHEMBL9512005 0.88 RAB9A (0.43) KDM4EALDH1A1HPGDL3MBTL1RARB

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-0277815-B1 Optically active-2-alkoxy-propyl ether and liquid crystal composition CHISSO CORP (JP) 1993-11-24 EP disclosed
US-5021191-A Ferroelectricity display elements; extremely small redution in crystal temperature region CHISSO CORPORATION (JP) 1991-06-04 US disclosed