SCHEMBL6079694

SCHEMBL6079694

CCCC[C](CC(C)C)C(CCC)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL11302385 0.79 CHRM1 (0.34) CES2CES1
SCHEMBL11196303 0.79 CES2 (0.35) CES2CES1
SCHEMBL7437356 0.76 CES1 (0.36) CES2CES1
SCHEMBL7440935 0.70 CES2 (0.39) CES2CES1
SCHEMBL7438751 0.68 CES2 (0.41) CES2CES1
SCHEMBL10637009 0.68 LMNA (0.43) CES2CES1
SCHEMBL9730454 0.67 FFAR4 (0.36)
SCHEMBL1533838 0.66 CES1 (0.39) CES2CES1
SCHEMBL7765839 0.66 CHRM1 (0.42) CES2CES1
SCHEMBL7951570 0.66 CES1 (0.39) CES2CES1

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-20060219636-A1 Siloxane-immobilized particulate stationary phases for chromatographic separations and extractions WATERS INVESTMENTS LIMITED (DE) 2006-10-05 US disclosed
WO-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed