SCHEMBL28053819

SCHEMBL28053819

CCCC(CC(C(=O)O)(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.37
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
RIPK1 Q13546 1/20 0.37
NAAA Q02083 2/20 0.36
GRIN2D O15399 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
OPRM1 P35372 2/20 0.36
POLB P06746 1/20 0.36
CACNA1F O60840 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL28053820 0.87 LMNA (0.40) CNR1CNR2LMNAMAPTCYP2D6
SCHEMBL28053714 0.83 CYP3A4 (0.36) LMNAMAPTCYP2D6CYP1A2PKM
SCHEMBL28053712 0.78 KIF11 (0.41) CNR1CNR2LMNAMAPTCYP2D6
SCHEMBL15463388 0.77 CYP2D6 (0.44) AOC3CNR1CNR2CYP2D6CYP1A2
SCHEMBL28564931 0.74 CYP2D6 (0.48) LMNAMAPTCYP2D6CYP1A2GRIN2D
SCHEMBL6967789 0.73 RIPK1 (0.41) AOC3CNR1CNR2MAPTCYP2D6
SCHEMBL1263573 0.73 AOC3 (0.48) AOC3LMNARIPK1
SCHEMBL28346014 0.73 GABBR2 (0.61) LMNAMAPTCYP2D6CYP1A2GABBR2
SCHEMBL28642990 0.73 GABBR2 (0.47) AOC3LMNAMAPTCYP2D6CYP1A2
SCHEMBL2292396 0.73 GABBR2 (0.61) LMNAMAPTCYP2D6CYP1A2GABBR2

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
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN claimed
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN disclosed