SCHEMBL8924878

SCHEMBL8924878

[CH2]CCCNC(=O)OCCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
NPC1 O15118 1/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TRPV1 Q8NER1 1/20 0.51
NAAA Q02083 3/20 0.51
TGM2 P21980 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL4920505 0.99 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL8923767 0.96 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL4922485 0.94 SMN1; SMN2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL4919043 0.92 SMN1; SMN2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL4924895 0.90 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL9294218 0.87 NPC1 (0.57) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL4910211 0.87 SMN1; SMN2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL9294010 0.87 NPC1 (0.57) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL4921596 0.85 NPC1 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL5322076 0.83 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4NPC1

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-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed