SCHEMBL6945282

SCHEMBL6945282

CCC(CCC(C)(C)C(=O)O)C(C)(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
ACLY P53396 1/20 0.37
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4106618 0.81 CHRM1 (0.41) CA2MAPK1CYP2C9HSD17B10
SCHEMBL8689396 0.80 TSHR (0.38) ACACBACACACA2MAPK1CYP2C9
SCHEMBL8842792 0.76 CA2 (0.45) CA2MAPK1
SCHEMBL6856895 0.76 CA2 (0.36) ACACBACACACA2MAPK1CYP2C9
SCHEMBL9710087 0.75 ACACB (0.47) ACACBACACAACLYCA2MAPK1
SCHEMBL7048284 0.75 ACACB (0.57) ACACBACACAACLYCA2MAPK1
SCHEMBL11207680 0.74 CA2 (0.32) CA2MAPK1CYP2C9HSD17B10
SCHEMBL22181478 0.74 GPR84 (0.47) CA2MAPK1
SCHEMBL6206221 0.73 ACACB (0.46) ACACBACACAACLYCA2MAPK1
SCHEMBL9871824 0.73 CA2 (0.34) ACACBACACACA2MAPK1

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
WO-2003104503-A1 INHIBITION OF THE DEPLETION OF PRECIOUS METAL VALUES FROM PREGNANT LIXIVIANT SOLUTIONS GE BETZ, INC. (US) 2003-12-18 WO claimed