SCHEMBL9434898

SCHEMBL9434898

CCC([CH]CCC(C)(C)C)(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2857717 0.78 TSHR (0.37) TSHRTDP1
SCHEMBL4653084 0.73
SCHEMBL28147301 0.69 ALDH1A1 (0.34) TSHRTDP1
SCHEMBL28334502 0.69 TSHR (0.32) TSHRTDP1
SCHEMBL3291300 0.65 TSHR (0.31) TSHRTDP1
SCHEMBL9413107 0.65 FAAH (0.32) TSHR
SCHEMBL4602448 0.65
SCHEMBL2282242 0.65
SCHEMBL4620736 0.65
SCHEMBL22548924 0.63 ALDH1A1 (0.45) TDP1

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-1994014809-A1 ANELLATED URACIL DERIVATES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-07-07 WO disclosed