SCHEMBL4722121

SCHEMBL4722121

CCC(C)(C)N(C([O])=O)C(C)(C)CC

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9400179 0.78 CHRM2 (0.33) TSHRTDP1
SCHEMBL4722124 0.78 RIPK1 (0.34) TSHRTDP1
SCHEMBL3926619 0.76 LMNA (0.31)
SCHEMBL2331497 0.69 ALDH1A1 (0.32) TSHR
SCHEMBL17710546 0.69 TSHR (0.32) TSHRTDP1
SCHEMBL14707152 0.67 CHRM2 (0.33) TSHRTDP1
Bicarbonate SCHEMBL8574704 0.65 TDP1 (0.61) TSHRTDP1
SCHEMBL28609965 0.65 RIPK1 (0.37) TSHR
SCHEMBL13638105 0.65 CHRM1 (0.34) TDP1
SCHEMBL24925778 0.63 ALDH1A1 (0.31) TSHRTDP1

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed