SCHEMBL9979374

SCHEMBL9979374

CC1CC(C(C)(C)C)CCC1NC(=O)c1cc(C(=O)NC2CCC(C(C)(C)C)CC2C)cc(C(=O)NC2CCC(C(C)(C)C)CC2C)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 0.49
TAS1R1 Q7RTX1 15/20 0.49
TAS1R2 Q8TE23 14/20 0.49
MLYCD O95822 1/20 0.42
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9979043 0.86 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2MLYCDTRPV1
SCHEMBL9979046 0.81 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2MLYCDTRPV1
SCHEMBL15021332 0.79 EPHX1 (0.39) TAS1R3TAS1R1TAS1R2
SCHEMBL9979213 0.76 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MLYCD
SCHEMBL9979162 0.76 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MLYCDTRPV1
SCHEMBL2455994 0.76 EPHX1 (0.54) TAS1R3TAS1R1TAS1R2
SCHEMBL17148648 0.75 POLB (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL9978902 0.75 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MLYCDALDH1A1
SCHEMBL2457237 0.74 GRM5 (0.48)
SCHEMBL2453198 0.74 TAS1R3 (0.81) TAS1R3TAS1R1TAS1R2MLYCD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed