SCHEMBL9979212

SCHEMBL9979212

CCCCc1ccc(NC(=O)CC(CC(=O)Nc2ccc(CCCC)cc2)C(=O)Nc2ccc(CCCC)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
POLB P06746 1/20 0.64
HPGD P15428 2/20 0.61
ALDH1A1 P00352 1/20 0.59
SPHK1 Q9NYA1 12/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
SPHK2 Q9NRA0 1/20 0.53

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
SCHEMBL9979160 0.91 NPC1 (0.60) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL9979344 0.88 NPC1 (0.74) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL22679410 0.86 NPC1 (0.61) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL9979328 0.84 HDAC3 (0.54) NPC1RAB9ASMN1; SMN2HPGDHDAC3
SCHEMBL6803234 0.84 NPC1 (0.81) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL9979106 0.83 S1PR1 (0.53) NPC1RAB9ASMN1; SMN2POLBHDAC3
SCHEMBL9312715 0.82 POLB (0.84) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL2619349 0.81 POLB (0.76) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL4081226 0.80 POLB (0.73) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL9842929 0.80 POLB (0.73) NPC1RAB9ASMN1; SMN2POLBHPGD

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