SCHEMBL2669952

SCHEMBL2669952

CCCCCC(C)C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)c1oc2ccc(OCC3CCCO3)cc2c1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.41
NPC1 O15118 7/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.36
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
P2RY12 Q9H244 1/20 0.35
MCHR1 Q99705 1/20 0.35
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL2669893 0.86 PRSS1 (0.35) RAB9ANPC1P2RY12
SCHEMBL2669939 0.85 NPC1 (0.39) RAB9ANPC1
SCHEMBL2669958 0.85 CASP3 (0.39) RAB9ANPC1CASP3SENP7
SCHEMBL2669836 0.85 NPC1 (0.33) RAB9ANPC1TDP1
SCHEMBL9070786 0.84 NPC1 (0.37) RAB9ANPC1
SCHEMBL720067 0.84 TDP1 (0.43) RAB9ANPC1TDP1SMN1; SMN2LMNA
SCHEMBL2669954 0.84 L3MBTL1 (0.34) RAB9ANPC1SMN1; SMN2
SCHEMBL2669842 0.84 NPC1 (0.33) RAB9ANPC1
SCHEMBL2669819 0.83 CYP4F2 (0.36) RAB9ANPC1MAPT
SCHEMBL2669955 0.83 ESR1 (0.39) RAB9ANPC1

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
WO-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed