SCHEMBL9979341

SCHEMBL9979341

CCCCc1cccc(NC(=O)CC(C(=O)Nc2cccc(CCCC)c2)C(CC(=O)Nc2cccc(CCCC)c2)C(=O)Nc2cccc(CCCC)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.53
S1PR4 O95977 2/20 0.53
S1PR3 Q99500 2/20 0.53
S1PR5 Q9H228 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL9979082 0.92 NLRP3 (0.51) S1PR1S1PR4S1PR3S1PR5NPC1
SCHEMBL9979106 0.90 S1PR1 (0.53) S1PR1S1PR4S1PR3S1PR5NPC1
SCHEMBL3023474 0.86 SMN1; SMN2 (0.70) S1PR1S1PR4S1PR3S1PR5NPC1
SCHEMBL9979430 0.86 MAPT (0.59) NPC1RAB9ASMN1; SMN2POLBLMNA
SCHEMBL27559352 0.85 HDAC4 (0.52) S1PR1S1PR4S1PR3S1PR5NPC1
SCHEMBL9979344 0.83 NPC1 (0.74) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL15946032 0.82 HDAC3 (0.63) NPC1RAB9ASMN1; SMN2POLBLMNA
SCHEMBL9979214 0.81 NLRP3 (0.51) S1PR1S1PR4S1PR3S1PR5SMN1; SMN2
SCHEMBL15946022 0.81 CA1 (0.59) S1PR1S1PR4S1PR3S1PR5SMN1; SMN2
SCHEMBL11679320 0.81 POLB (0.68) S1PR1S1PR4S1PR3S1PR5NPC1

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