SCHEMBL28858882

SCHEMBL28858882

CC(C)(C)C1CCC(C(=O)O)(C(=O)O)CC1.[CaH2]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
GLA P06280 1/20 0.35
LIPA P38571 1/20 0.34
ALDH1A1 P00352 6/20 0.34
ATM Q13315 2/20 0.34
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FFAR3 O14843 1/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL2657478 0.98 EPHX1 (0.37) EPHX1GLALIPAALDH1A1ATM
SCHEMBL1837143 0.78 FFAR3 (0.54) EPHX1GLALIPAALDH1A1ATM
SCHEMBL4601083 0.77 GRM4 (0.47) EPHX1GLAALDH1A1CYP2D6GAA
SCHEMBL13446511 0.77 EPHX1 (0.35) EPHX1GLALIPAALDH1A1ATM
SCHEMBL4601909 0.77 GRM4 (0.47) EPHX1GLAALDH1A1CYP2D6GAA
SCHEMBL29282866 0.77 EPHX1 (0.35) EPHX1GLALIPAALDH1A1ATM
SCHEMBL28858898 0.75 CYP2C19 (0.37) EPHX1ALDH1A1FFAR3LMNACYP2C19
SCHEMBL17041434 0.74 LIPA (0.35) EPHX1GLALIPAALDH1A1ATM
SCHEMBL13464471 0.74 HSD11B1 (0.36) EPHX1GLALIPAALDH1A1ATM
SCHEMBL3420703 0.72 CYP2C19 (0.38) EPHX1ALDH1A1FFAR3LMNACYP2C19

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-115210313-B Crystallization nucleating agent composition for polyolefin resin and polyolefin resin composition comprising the same 新日本理化株式会社 2024-05-24 CN disclosed
CN-115210313-A Crystal nucleating agent composition for polyolefin resin and polyolefin resin composition containing the same 新日本理化株式会社 2022-10-18 CN disclosed