SCHEMBL3059758

SCHEMBL3059758

CCCC(C)(CC)C(=O)OOC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ELANE P08246 1/20 0.31
FDPS P14324 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
SCHEMBL1763802 0.89 LMNA (0.32) HSD17B10LMNA
SCHEMBL29796112 0.87 FDPS (0.36) FDPS
SCHEMBL2996649 0.79 DGAT1 (0.40) HSD17B10LMNAALDH1A1ELANE
SCHEMBL13317330 0.79 DGAT1 (0.38) HSD17B10LMNAALDH1A1TSHRTDP1
SCHEMBL17617204 0.79 DGAT1 (0.38) HSD17B10LMNAALDH1A1TSHRTDP1
SCHEMBL11652800 0.78 FDPS (0.32) FDPS
SCHEMBL28343532 0.77 LMNA (0.36) HSD17B10LMNAALDH1A1TSHRELANE
SCHEMBL17617167 0.75 CYP4F2 (0.44) HSD17B10LMNAALDH1A1TSHR
SCHEMBL17617205 0.75 CYP4F2 (0.44) HSD17B10LMNAALDH1A1TSHR
SCHEMBL9045321 0.74 TSHR (0.36) HSD17B10ALDH1A1TSHRTDP1

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
US-20100266792-A1 COMPOSITE MATERIALS AND METHOD FOR PRODUCTION THEREOF BASF SE (DE) 2010-10-21 US disclosed