SCHEMBL30455911

SCHEMBL30455911

CC(C)CCCCCCCCC(C)(C)C(=O)O.CC(C)CCCCCCCOC(=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.54
ACACA Q13085 1/20 0.54
ACLY P53396 1/20 0.44
CYP4F2 P78329 5/20 0.37
CYP4A11 Q02928 5/20 0.37
LTB4R Q15722 3/20 0.36
PPARA Q07869 3/20 0.35
TBXAS1 P24557 2/20 0.35
RARB P10826 1/20 0.35
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
ADRA1A P35348 1/20 0.34
PPARG P37231 1/20 0.34
HTR2B P41595 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34

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
SCHEMBL29929763 1.00 ACACB (0.54) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL30142647 0.98 ACACB (0.51) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL30589469 0.95 ACACB (0.51) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL29880638 0.94 ACACB (0.49) ACACBACACAACLYCYP4F2CYP4A11
Pivalate SCHEMBL1639290 0.91 ACACB (0.40) ACACBACACACYP4F2CYP4A11RARB
SCHEMBL24652860 0.89 PRKCA (0.38) ACACBACACACYP4F2CYP4A11RARB
SCHEMBL22830548 0.89 PRKCA (0.38) ACACBACACACYP4F2CYP4A11RARB
SCHEMBL2523056 0.89 PRKCA (0.38) ACACBACACACYP4F2CYP4A11RARB
SCHEMBL29467087 0.89 PRKCA (0.38) ACACBACACACYP4F2CYP4A11RARB
SCHEMBL29365868 0.89 PRKCA (0.38) ACACBACACACYP4F2CYP4A11RARB

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-116669685-A Titanate crystal particle dispersion 三好美国股份有限公司 2023-08-29 CN disclosed
CN-113286574-B Cosmetic composition comprising a cosmetic capsule absorbing a water-soluble extract 韩国科玛株式会社 2023-05-30 CN disclosed