SCHEMBL6453142

SCHEMBL6453142

CC(C)CC[C@H](C)COOC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPK1 P28482 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
SCHEMBL840764 1.00 TSHR (0.30) TSHRTDP1MAPK1
SCHEMBL20898630 0.93 TSHR (0.35) TSHRTDP1MAPK1
SCHEMBL1262776 0.93 TSHR (0.35) TSHRTDP1MAPK1
SCHEMBL28733030 0.87 LMNA (0.46)
SCHEMBL11057798 0.83
SCHEMBL28381469 0.82 TSHR (0.37) TSHRTDP1MAPK1
SCHEMBL4909440 0.81 ALDH1A1 (0.31) TSHRTDP1
SCHEMBL9779524 0.80 LMNA (0.36)
SCHEMBL10875196 0.78
SCHEMBL3685965 0.78 TSHR (0.39) TSHRTDP1MAPK1

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-2005023931-A1 BIOCIDAL POLYMERS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-03-17 WO disclosed