SCHEMBL29211124

SCHEMBL29211124

O=C(O)C#CCCC(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.43
TBXAS1 P24557 2/20 0.40
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
EPHX1 P07099 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11546366 0.80 CYP2C19 (0.50) CYP2C19POLBTBXAS1CYP2D6SRC
SCHEMBL30371912 0.79 CYP2C19 (0.61) CYP2C19POLBTBXAS1CYP2D6SRC
SCHEMBL7056269 0.79 CYP2C19 (0.49) CYP2C19POLBTBXAS1CYP2D6SRC
SCHEMBL7824476 0.79 CYP2C19 (0.49) CYP2C19POLBTBXAS1CYP2D6SRC
SCHEMBL7824473 0.79 CYP2C19 (0.49) CYP2C19POLBTBXAS1CYP2D6SRC
SCHEMBL5329154 0.74 CYP2C19 (0.47) CYP2C19POLBTBXAS1CYP2D6SRC
SCHEMBL14360139 0.74 TBXAS1 (0.60) CYP2C19POLBTBXAS1CYP2D6SRC
SCHEMBL7899585 0.74 CYP2C19 (0.55) CYP2C19POLBTBXAS1CYP2D6SRC
SCHEMBL819393 0.74 CYP2C19 (0.55) CYP2C19POLBTBXAS1CYP2D6SRC
SCHEMBL7909074 0.74 CYP2C19 (0.55) CYP2C19POLBTBXAS1CYP2D6SRC

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
CN-117529377-A Organic binder, composition for producing inorganic material molded body, green body, degreased body, inorganic material molded body, and method for producing inorganic material molded body 株式会社吴羽 2024-02-06 CN disclosed