SCHEMBL20053314

SCHEMBL20053314

CCCC(C)(C)C[C@H](C)OC(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP8 P22894 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.33
GRM1 Q13255 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
SCHEMBL24943437 0.85 LMNA (0.43) LMNAHSD17B10MMP8TSHRCYP3A4
SCHEMBL13227842 0.85 MMP8 (0.33) MMP8FAAH
SCHEMBL14399745 0.82 LMNA (0.41) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL14296154 0.78 MMP8 (0.32) MMP8TSHRFAAH
SCHEMBL14296191 0.78 MMP8 (0.32) MMP8TSHRFAAH
SCHEMBL14296192 0.78 MMP8 (0.32) MMP8TSHRFAAH
SCHEMBL3258934 0.77 LMNA (0.47) LMNAFAAH
SCHEMBL3764447 0.77 TSHR (0.38) TSHRCYP3A4
SCHEMBL13227576 0.77 MMP8 (0.33) MMP8FAAH
SCHEMBL12044661 0.75 LMNA (0.42) LMNAHSD17B10MMP8TSHRCYP3A4

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-9943609-B2 Protein-polymer-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2018-04-17 US disclosed