SCHEMBL7192006

SCHEMBL7192006

COC(=O)C(C)=CCCCC(C)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.31
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL28250521 0.81 KDM1A (0.37) CYP2D6CYP2C19ALDH1A1MAP3K7TAB1
SCHEMBL26087793 0.81 KDM1A (0.37) CYP2D6CYP2C19ALDH1A1MAP3K7TAB1
SCHEMBL4885823 0.79 CD81 (0.38) ALDH1A1MAPT
SCHEMBL11402216 0.77 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL27881168 0.77 ALDH1A1 (0.34) CYP2D6CYP2C19ALDH1A1MAP3K7TAB1
SCHEMBL1584162 0.77 ALDH1A1 (0.34) CYP2D6CYP2C19ALDH1A1
SCHEMBL689957 0.77 EP300 (0.39) CYP2D6CYP2C19ALDH1A1
SCHEMBL2771421 0.77 EP300 (0.39) CYP2D6CYP2C19ALDH1A1
SCHEMBL3463543 0.76 PAOX (0.35) CYP2D6CYP2C19ALDH1A1MAP3K7TAB1
SCHEMBL4919155 0.76 EP300 (0.47) CYP2C19MAPTALOX15CYP2C9

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
WO-2003010124-A1 POLYMERIZABLE COMPOUND, polymeRIZABLE COMPOSITION AND CURED PRODUCT CONTAINING THE COMPOUND SHOWA DENKO K. K. (JP) 2003-02-06 WO disclosed