SCHEMBL5040097

SCHEMBL5040097

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
HDAC6 Q9UBN7 1/20 0.60
SIGMAR1 Q99720 1/20 0.58
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NAAA Q02083 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
APP P05067 1/20 0.52
MLYCD O95822 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
NAMPT P43490 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
SCHEMBL5039808 0.89 GAA (0.56) NPC1RAB9AHDAC6SIGMAR1SMN1; SMN2
SCHEMBL9967364 0.88 NPC1 (0.88) NPC1RAB9AHDAC6HPGDSMN1; SMN2
SCHEMBL5694328 0.88 NPC1 (0.88) NPC1RAB9AHDAC6HPGDSMN1; SMN2
SCHEMBL24420725 0.88 NPC1 (0.88) NPC1RAB9AHDAC6HPGDSMN1; SMN2
SCHEMBL4728815 0.88 NPC1 (0.88) NPC1RAB9AHDAC6HPGDSMN1; SMN2
SCHEMBL5044268 0.87 NAAA (0.60) NPC1RAB9ASIGMAR1HPGDL3MBTL1
SCHEMBL13577912 0.87 NPC1 (0.84) NPC1RAB9AHDAC6HPGDSMN1; SMN2
SCHEMBL1853750 0.86 NPC1 (0.62) NPC1RAB9AHDAC6SIGMAR1HPGD
SCHEMBL5044615 0.86 TMEM97 (0.60) SIGMAR1SMN1; SMN2L3MBTL1NAAAMLYCD
SCHEMBL27619622 0.85 NPC1 (0.72) NPC1RAB9AHDAC6HPGDSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed