SCHEMBL9979082

SCHEMBL9979082

CCCc1cccc(NC(=O)CC(C(=O)Nc2cccc(CCC)c2)C(CC(=O)Nc2cccc(CCC)c2)C(=O)Nc2cccc(CCC)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.51
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
S1PR1 P21453 4/20 0.46
S1PR4 O95977 2/20 0.46
S1PR3 Q99500 2/20 0.46
S1PR5 Q9H228 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
TP53 P04637 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL9979341 0.92 S1PR1 (0.53) MAPTGAASMN1; SMN2S1PR1S1PR4
SCHEMBL9979214 0.89 NLRP3 (0.51) NLRP3MAPTGAAGRIN2DGRIN3B
SCHEMBL9979430 0.89 MAPT (0.59) MAPTGAASMN1; SMN2TP53HDAC3
SCHEMBL9979292 0.82 NPC1 (0.60) SMN1; SMN2ABCG2HDAC3HDAC4HDAC1
SCHEMBL24690443 0.82 POLB (0.63) NLRP3MAPTGAAGRIN2DGRIN3B
SCHEMBL9979106 0.81 S1PR1 (0.53) MAPTSMN1; SMN2S1PR1S1PR4S1PR3
SCHEMBL9979197 0.80 HPGD (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25016092 0.78 MAPT (0.57) NLRP3MAPTGAAGRIN2DGRIN3B
SCHEMBL3023474 0.78 SMN1; SMN2 (0.70) MAPTGAASMN1; SMN2S1PR1S1PR4
SCHEMBL27644958 0.77 GRIN2D (0.56) NLRP3MAPTGAAGRIN2DGRIN3B

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