SCHEMBL9634048

SCHEMBL9634048

CCCCCCCCCCCCOc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LTA4H P09960 2/20 0.50
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48
ESR2 Q92731 1/20 0.47
NR5A1 Q13285 1/20 0.47
RARB P10826 3/20 0.47
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.44
PTPN11 Q06124 1/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL4257509 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL11573789 0.99 KDM4E (0.52) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL6959613 0.96 ESR2 (0.51) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL6961627 0.90 ESR2 (0.51) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8492656 0.86 LTA4H (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL4257516 0.83 PTPN11 (0.51) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9634041 0.83 PTPN11 (0.51) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL6960961 0.83 ESR2 (0.54) KDM4EALDH1A1HPGDL3MBTL1LTA4H
Octane SCHEMBL9620215 0.83 ESR2 (0.53) KDM4EALDH1A1HPGDL3MBTL1FFAR1
Decane SCHEMBL9620442 0.83 ESR2 (0.53) KDM4EALDH1A1HPGDL3MBTL1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294724-B1 DISPLAY MATERIAL SONY CORPORATION (JP) 1992-05-20 EP disclosed
US-4940689-A Display material SONY CORPORATION (JP) 1990-07-10 US disclosed
EP-0294724-A2 Display material SONY CORPORATION (JP) 1988-12-14 EP disclosed