SCHEMBL16675165

SCHEMBL16675165

COc1ccc(NC(=O)c2cc(NC(=O)c3ccc(OC)cc3)cc(C(=O)Nc3ccc(OC)cc3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.83
RAB9A P51151 12/20 0.83
SMN1; SMN2 Q16637 7/20 0.83
TP53 P04637 6/20 0.83
ALOX15 P16050 1/20 0.83
ALDH1A1 P00352 4/20 0.76
KMT2A Q03164 4/20 0.76
CYP1A2 P05177 2/20 0.76
CYP2C9 P11712 2/20 0.76
MEN1 O00255 2/20 0.76
CYP3A4 P08684 1/20 0.76
GAA P10253 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C19 P33261 1/20 0.76
KDM4E B2RXH2 1/20 0.68
CASP3 P42574 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
TAS1R3 Q7RTX0 1/20 0.66
TAS1R1 Q7RTX1 1/20 0.66
TAS1R2 Q8TE23 1/20 0.66

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
SCHEMBL16675159 0.97 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL2917029 0.93 NPC1 (0.82) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.91 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL9587189 0.89 NPC1 (0.73) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.86 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.86 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.86 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.86 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.86 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4248077 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15

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-20150114257-A1 METHOD OF PREPARING RETARDATION FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY Konica Minolta, Inc. (JP) 2015-04-30 US disclosed
US-20150114257-A1 METHOD OF PREPARING RETARDATION FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY Konica Minolta, Inc. (JP) 2015-04-30 US disclosed