SCHEMBL9979043

SCHEMBL9979043

CC(C)(C)C1CCC(NC(=O)c2cc(C(=O)NC3CCC(C(C)(C)C)CC3C(C)(C)C)cc(C(=O)NC3CCC(C(C)(C)C)CC3C(C)(C)C)c2)C(C(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.40
TAS1R2 Q8TE23 6/20 0.40
TAS1R1 Q7RTX1 5/20 0.40
TRPV1 Q8NER1 1/20 0.37
HPGDS O60760 3/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX1 P07099 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GLA P06280 1/20 0.34
MLYCD O95822 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9979374 0.86 TAS1R3 (0.49) TAS1R3TAS1R2TAS1R1TRPV1MLYCD
SCHEMBL9979061 0.79 HSD11B1 (0.38) TAS1R3TAS1R2TAS1R1TRPV1HPGDS
SCHEMBL2454852 0.79 TAS1R3 (0.54) TAS1R3TAS1R2TAS1R1MEN1KMT2A
SCHEMBL2455994 0.77 EPHX1 (0.54) TAS1R3TAS1R2TAS1R1HPGDSEPHX1
SCHEMBL518121 0.76 NPC1 (0.43) TRPV1CYP3A4MEN1KMT2AMLYCD
SCHEMBL17148648 0.76 POLB (0.47) TAS1R3TAS1R2TAS1R1HPGDSEPHX1
SCHEMBL2457237 0.75 GRM5 (0.48) EPHX1MEN1KMT2A
SCHEMBL9979046 0.69 TAS1R3 (0.54) TAS1R3TAS1R2TAS1R1TRPV1MLYCD
SCHEMBL17148635 0.69 SMYD3 (0.61) HPGDSEPHX1
SCHEMBL2487453 0.68 GLA (0.35) GLA

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