SCHEMBL9979291

SCHEMBL9979291

CC(C)(C)c1ccc(NC(=O)CC(C(=O)Nc2ccc(C(C)(C)C)cc2)C(CC(=O)Nc2ccc(C(C)(C)C)cc2)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
KIF11 P52732 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
NR1H4 Q96RI1 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
EPHX2 P34913 1/20 0.47
PTPN1 P18031 1/20 0.47
LMNA P02545 2/20 0.46
PDK1 Q15118 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
SCHEMBL9979407 0.87 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL13167575 0.83 PTPN1 (0.69) NPC1RAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL9979086 0.82 KCNJ6 (0.59) RAB9ASMN1; SMN2MEN1MAPTXBP1
SCHEMBL9979382 0.81 POLB (0.63) SMN1; SMN2MAPTHDAC3HDAC11HDAC8
SCHEMBL13778192 0.79 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL6062563 0.79 LMNA (0.59) SMN1; SMN2MEN1MAPTHTTKMT2A
SCHEMBL9979379 0.79 CRHBP (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9979420 0.79 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL9979131 0.78 GAA (0.56) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL12233865 0.78 MAPT (0.58) NPC1RAB9ASMN1; SMN2MAPK1MEN1

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