SCHEMBL1939059

SCHEMBL1939059

CC(C)(C)c1cc(C(=O)C2CCCCC2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1263992 0.90 NPC1 (0.36) RAB9ANPC1POLBRXFP1LMNA
SCHEMBL1263955 0.89 NPC1 (0.40) RAB9ANPC1POLBRXFP1PLA2G1B
SCHEMBL1263563 0.88 RXFP1 (0.32) RAB9ANPC1POLBRXFP1ALDH1A1
SCHEMBL1263994 0.85 NPC1 (0.52) RAB9ANPC1POLBLMNAALDH1A1
SCHEMBL1264010 0.81 NPC1 (0.45) RAB9ANPC1POLBLMNAALDH1A1
SCHEMBL1264001 0.81 NPC1 (0.45) RAB9ANPC1POLBLMNAALDH1A1
SCHEMBL2814977 0.78 NPC1 (0.45) RAB9ANPC1POLBLMNAALDH1A1
SCHEMBL1263990 0.78 NPC1 (0.42) RAB9ANPC1POLBLMNAALDH1A1
SCHEMBL1263980 0.78 NPC1 (0.42) RAB9ANPC1POLBLMNAALDH1A1
SCHEMBL108807 0.74 NPC1 (0.54) RAB9ANPC1POLBLMNAALDH1A1

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
EP-2332013-A1 ULTRAVIOLET LIGHT ABSORBING KETONES OF 2-(2-HYDROXYPHENYL) BENZOTRIAZOLE Chang, Chia-Hu (US) 2011-06-15 EP claimed
WO-2010039229-A1 ULTRAVIOLET LIGHT ABSORBING KETONES OF 2-(2-HYDROXYPHENYL) BENZOTRIAZOLE CHANG CHIA-HU (US) 2010-04-08 WO claimed