SCHEMBL9979046

SCHEMBL9979046

CC1CCC(NC(=O)c2cc(C(=O)NC3CCC(C)CC3C)cc(C(=O)NC3CCC(C)CC3C)c2)C(C)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.54
TAS1R2 Q8TE23 11/20 0.54
TAS1R1 Q7RTX1 11/20 0.54
TRPV1 Q8NER1 3/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
MLYCD O95822 1/20 0.42

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
SCHEMBL9979213 0.81 TAS1R3 (0.49) TAS1R3TAS1R2TAS1R1MLYCD
SCHEMBL9979162 0.81 TAS1R3 (0.49) TAS1R3TAS1R2TAS1R1TRPV1TRPM8
SCHEMBL9979374 0.81 TAS1R3 (0.49) TAS1R3TAS1R2TAS1R1TRPV1MLYCD
SCHEMBL9979263 0.81 TAS1R3 (0.46) TAS1R3TAS1R2TAS1R1TRPV1TRPM8
SCHEMBL9978902 0.80 TAS1R3 (0.48) TAS1R3TAS1R2TAS1R1MLYCD
SCHEMBL9979359 0.79 TAS1R3 (0.46) TAS1R3TAS1R2TAS1R1TRPV1TRPM8
SCHEMBL2453198 0.79 TAS1R3 (0.81) TAS1R3TAS1R2TAS1R1MLYCD
SCHEMBL9978879 0.77 TAS1R3 (0.42) TAS1R3TAS1R2TAS1R1TRPV1
SCHEMBL2452125 0.74 NPC1 (0.60) TAS1R3TAS1R2TAS1R1
SCHEMBL2915377 0.72 TAS1R3 (0.66) TAS1R3TAS1R2TAS1R1

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