SCHEMBL9979292

SCHEMBL9979292

CCCc1ccc(NC(=O)CC(C(=O)Nc2ccc(CCC)cc2)C(CC(=O)Nc2ccc(CCC)cc2)C(=O)Nc2ccc(CCC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 1/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
HPGD P15428 2/20 0.49
SPHK1 Q9NYA1 9/20 0.48
ALDH1A1 P00352 1/20 0.48
PTPN1 P18031 1/20 0.46
ABCG2 Q9UNQ0 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
SCHEMBL9979344 0.91 NPC1 (0.74) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL9979160 0.88 NPC1 (0.60) NPC1RAB9ASMN1; SMN2POLBHDAC3
SCHEMBL9979379 0.87 CRHBP (0.57) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL9979082 0.82 NLRP3 (0.51) NPC1RAB9ASMN1; SMN2POLBHDAC3
SCHEMBL9312694 0.81 POLB (0.67) NPC1RAB9ASMN1; SMN2POLBHDAC3
SCHEMBL14349974 0.80 SPHK1 (0.56) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL9979382 0.80 POLB (0.63) SMN1; SMN2POLBHDAC3HDAC4HDAC1
SCHEMBL10117151 0.80 POLB (0.60) NPC1RAB9ASMN1; SMN2POLBHDAC3
SCHEMBL9979212 0.79 NPC1 (0.74) NPC1RAB9ASMN1; SMN2POLBHDAC3
SCHEMBL6123671 0.79 NPC1 (0.57) NPC1RAB9ASMN1; SMN2POLBHDAC3

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