Dimebutic Acid

Dimebutic Acid

SCHEMBL5050667

C1CO1.CCC(C)(C)C(=O)O

nearest known ligand 0.37

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ACLY P53396 1/20 0.34
RIPK1 Q13546 5/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
FKBP1A P62942 2/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 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
Dimebutic Acid SCHEMBL47533 0.87
Dimebutic Acid SCHEMBL1961089 0.84
Dimebutic Acid SCHEMBL20139427 0.84
Dimebutic Acid SCHEMBL28444780 0.84
Dimebutic Acid SCHEMBL1176300 0.84
Dimebutic Acid SCHEMBL25275531 0.84
Dimebutic Acid SCHEMBL8383027 0.84
Dimebutic Acid SCHEMBL1962006 0.84
Dimebutic Acid SCHEMBL1055427 0.84
Dimebutic Acid SCHEMBL27959638 0.84 TSHR (0.42) TSHRALDH1A1ACLYRIPK1CYP2D6

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
US-20080048181-A1 Organic Semiconductor Thin Film, Organic Semiconductor Device, Organic Thin Film Transistor and Organic Electronic Luminescence Element KONICA MINOLTA HOLDINGS, INC. (JP) 2008-02-28 US disclosed
EP-1758172-A1 ORGANIC SEMICONDUCTOR THIN FILM, ORGANIC SEMICONDUCTOR DEVICE, ORGANIC THIN FILM TRANSISTOR, AND ORGANIC ELECTRO-LUMINESCENCE ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2007-02-28 EP disclosed