SCHEMBL9979281

SCHEMBL9979281

CCCCC1CCC(NC(=O)c2cc(C(=O)NC3CCC(CCCC)CC3CCCC)cc(C(=O)NC3CCC(CCCC)CC3CCCC)c2)C(CCCC)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
CCR2 P41597 1/20 0.41
KCNH2 Q12809 1/20 0.41
CCR5 P51681 1/20 0.41
TLR4 O00206 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
NAAA Q02083 1/20 0.36
PANK3 Q9H999 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR2 O60603 1/20 0.35

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
SCHEMBL9979377 0.83 CYP1A2 (0.40) CYP2D6TLR4CYP1A2CYP3A4CYP2C9
SCHEMBL2455117 0.83 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL9978823 0.81 SMYD3 (0.49) SMYD3TAS1R3TAS1R1TAS1R2PANK3
SCHEMBL2446868 0.80 CNR1 (0.44) SMYD3CYP2C9KMT2A
SCHEMBL22462419 0.77 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2HTT
SCHEMBL9978902 0.77 TAS1R3 (0.48) CYP2C9TAS1R3TAS1R1TAS1R2
SCHEMBL2450492 0.76 TSHR (0.46) TSHRKMT2A
SCHEMBL2455078 0.75 NPC1 (0.44) CCR2SMYD3CYP2C9KMT2A
SCHEMBL9979175 0.75 TRPV1 (0.38) CYP2D6SMYD3CYP2C9TAS1R3TAS1R1
SCHEMBL2453473 0.74 CNR1 (0.45)

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