SCHEMBL4598743

SCHEMBL4598743

CCCCNC(=O)c1ccc(C)cc1C

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
HTT P42858 2/20 0.66
TSHR P16473 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NAAA Q02083 2/20 0.49
LMNA P02545 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
SCHEMBL8211224 0.94 L3MBTL1 (0.68) SMN1; SMN2NPC1RAB9AHTTTSHR
SCHEMBL25908061 0.87 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AHTTL3MBTL1
SCHEMBL16523467 0.86 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTTSHR
SCHEMBL12121122 0.84 HTT (0.57) SMN1; SMN2NPC1RAB9AHTTTSHR
SCHEMBL1420957 0.84 HTT (0.57) SMN1; SMN2NPC1RAB9AHTTTSHR
SCHEMBL360641 0.84 HTT (0.57) SMN1; SMN2NPC1RAB9AHTTTSHR
SCHEMBL27452028 0.84 HTT (0.57) SMN1; SMN2NPC1RAB9AHTTTSHR
SCHEMBL25908060 0.83 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHTTHDAC3
SCHEMBL16523449 0.83 SMN1; SMN2 (0.83) SMN1; SMN2NPC1RAB9AHTTHDAC3
SCHEMBL4156165 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AHTTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670874-A1 LOW SUDSING POLYHYDROXY FATTY ACID AMIDE DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-09-13 EP claimed
WO-1994012597-A1 LOW SUDSING POLYHYDROXY FATTY ACID AMIDE DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1994-06-09 WO claimed
EP-1910274-A1 PHENYL COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015807-A1 PHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed