SCHEMBL9294010

SCHEMBL9294010

[CH2]CNC(=O)OCCCCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RECQL P46063 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NAAA Q02083 7/20 0.54
LMNA P02545 1/20 0.51

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
SCHEMBL9294218 1.00 NPC1 (0.57) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL4921596 0.98 NPC1 (0.59) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL4920810 0.94 SMN1; SMN2 (0.65) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL4910834 0.87 MGLL (0.52) NPC1RECQLRAB9ASMN1; SMN2LMNA
SCHEMBL8924878 0.87 CHRNB2 (0.55) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL4919043 0.87 SMN1; SMN2 (0.56) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL8923767 0.86 CHRNB2 (0.54) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL4920505 0.85 CHRNB2 (0.56) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL5213750 0.83 NPC1 (0.59) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL7771581 0.82 NPC1 (0.55) NPC1RECQLRAB9ASMN1; SMN2NAAA

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-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US disclosed