SCHEMBL9979061

SCHEMBL9979061

CC(C)(C)C1CC(C(C)(C)C)C(NC(=O)c2cc(C(=O)NC3C(C(C)(C)C)CC(C(C)(C)C)CC3C(C)(C)C)cc(C(=O)NC3C(C(C)(C)C)CC(C(C)(C)C)CC3C(C)(C)C)c2)C(C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
HPGDS O60760 4/20 0.32
GRM5 P41594 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
BRD4 O60885 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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 0.79 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2455994 0.74 EPHX1 (0.54) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2457237 0.72 GRM5 (0.48) MEN1KMT2AGRM5
SCHEMBL9979374 0.71 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2TRPV1
SCHEMBL17149225 0.70 POLB (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL17148648 0.70 POLB (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL9978879 0.69 TAS1R3 (0.42) HSD11B1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2454852 0.69 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL17148635 0.66 SMYD3 (0.61) L3MBTL1HPGDSGRM5SMYD3
SCHEMBL17148647 0.65 EPHX1 (0.51) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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