SCHEMBL9426010

SCHEMBL9426010

CCCCN(C)C(=O)CCc1ccc2c(c1)OC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
IAPP P10997 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL9426166 0.81 TRPM8 (0.48) CDK8CLK4RAB9ATRPM8KMT2A
SCHEMBL9425827 0.81 CDK8 (0.39) CDK8CLK4NPC1SMN1; SMN2RAB9A
SCHEMBL15243134 0.79 ALOX15 (0.41) NPC1SMN1; SMN2ALOX15ALOX12RAB9A
SCHEMBL9588857 0.77 ALOX15 (0.48) NPC1ALOX15ALOX12RAB9A
SCHEMBL9346628 0.77 IAPP (0.62) NPC1SMN1; SMN2ALOX15RAB9AIAPP
SCHEMBL9425968 0.77 HPGD (0.51) KMT2A
SCHEMBL9425817 0.76 TRPM8 (0.41) CDK8CLK4NPC1SMN1; SMN2RAB9A
SCHEMBL25020569 0.76 ALOX15 (0.48) NPC1SMN1; SMN2ALOX15ALOX12RAB9A
SCHEMBL5346679 0.76 ALOX15 (0.48) NPC1SMN1; SMN2ALOX15ALOX12RAB9A
SCHEMBL30932929 0.76 ALOX15 (0.48) NPC1SMN1; SMN2ALOX15ALOX12RAB9A

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-5338745-A Alzheimer's disease MITSUI TOATSU CHEMICALS, INCORPORATION (JP) 1994-08-16 US disclosed
EP-0495998-A1 DIHYDROCAFFEIC ACID AMIDE DERIVATIVE AND APPLICATION THEREOF AS MEDICINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-07-29 EP disclosed