SCHEMBL4598560

SCHEMBL4598560

NC(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.75
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
ALDH1A1 P00352 2/20 0.65
MEN1 O00255 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.65
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
PARP10 Q53GL7 1/20 0.64
PTPN1 P18031 1/20 0.63
PTPN6 P29350 1/20 0.63
PTPN11 Q06124 1/20 0.63

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
SCHEMBL4666205 0.87 RAB9A (0.74) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3505916 0.86 LTA4H (0.78) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21067416 0.86 LTA4H (1.00) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4667938 0.86 LTA4H (0.64) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21295527 0.85 MEN1 (0.77) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14280159 0.84 LTA4H (0.71) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11390615 0.84 NPC1 (0.64) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2750411 0.84 SMN1; SMN2 (0.75) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL626379 0.84 PTPN1 (0.86) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3424405 0.84 MEN1 (0.74) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1

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
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed