SCHEMBL28181541

SCHEMBL28181541

CCC(CC)(CC)C(=O)CC(=O)[O-].CCC(CC)(CC)C(=O)CC(=O)[O-].CCC(CC)(CC)C(=O)CC(=O)[O-].O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Al+3]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
RIPK1 Q13546 2/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
ALPG P10696 1/20 0.31
GRIN2D O15399 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30
GRIN2B Q13224 2/20 0.30
GRIN2C Q14957 2/20 0.30
OPRM1 P35372 2/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CACNA1F O60840 1/20 0.30
ABCB1 P08183 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
SCHEMBL237875 0.78 CA4 (0.43)
SCHEMBL20506735 0.74 CA4 (0.43)
SCHEMBL10824711 0.74 CA4 (0.43)
SCHEMBL1615731 0.74 CA4 (0.43)
SCHEMBL30499381 0.67 ESR1 (0.40) MAPTCES2CES1POLBNPC1
SCHEMBL49883 0.65 ESR1 (0.42) MAPTCES2CES1POLBNPC1
SCHEMBL1924420 0.64 CA1 (0.38) CES2CES1
SCHEMBL28621338 0.63 ESR1 (0.37) MAPTCES2CES1POLBCYP2C19
SCHEMBL6905695 0.63 CA4 (0.39) CES2CES1
SCHEMBL9249105 0.63 CYP4F2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107189019-B A kind of lower shrinkage concrete modified epoxy vinyl resin and preparation method 江苏燕宁新材料科技发展有限公司 2019-10-15 CN claimed
CN-107189019-A A kind of lower shrinkage concrete modified epoxy vinyl resin and preparation method 江苏燕宁新材料科技发展有限公司 2017-09-22 CN claimed
CN-107189019-B A kind of lower shrinkage concrete modified epoxy vinyl resin and preparation method 江苏燕宁新材料科技发展有限公司 2019-10-15 CN disclosed
CN-107189019-A A kind of lower shrinkage concrete modified epoxy vinyl resin and preparation method 江苏燕宁新材料科技发展有限公司 2017-09-22 CN disclosed