SCHEMBL28053820

SCHEMBL28053820

CCC(CC(C(=O)O)(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KIF11 P52732 2/20 0.39
CCR5 P51681 1/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 3/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38

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
SCHEMBL28053819 0.87 AOC3 (0.41) LMNAMAPTCYP2D6CYP1A2GABBR2
SCHEMBL28053712 0.84 KIF11 (0.41) LMNAKIF11CCR5MAPTCYP2D6
SCHEMBL28053809 0.82 CYP3A4 (0.38) MAPTCYP2D6CYP1A2MEN1KMT2A
SCHEMBL15868611 0.79 MAPT (0.44) LMNACCR5MAPTCYP2D6CYP1A2
SCHEMBL15463388 0.79 CYP2D6 (0.44) CYP2D6CYP1A2KMT2AGRIN2DGRIN1
SCHEMBL6294907 0.78 LMNA (0.41) LMNACCR5MAPTCYP2D6CYP1A2
SCHEMBL28564931 0.77 CYP2D6 (0.48) LMNAKIF11MAPTCYP2D6CYP1A2
SCHEMBL26341805 0.75 LMNA (0.41) LMNACCR5MAPTCYP2D6CYP1A2
SCHEMBL17124791 0.74 KCNH2 (0.38) LMNAKIF11CCR5MEN1KMT2A
SCHEMBL2291949 0.74 CYP2C19 (0.47) LMNAKIF11MAPTCYP2D6CYP1A2

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