SCHEMBL4902979

SCHEMBL4902979

O=C(CCC(=O)c1ccc(Cl)cc1)OC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
MMP1 P03956 1/20 0.47
GSK3B P49841 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL8855417 0.84 POLB (0.56) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL4644797 0.80 POLB (0.46) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL16552727 0.78 GSK3B (0.70) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL4644174 0.77 L3MBTL1 (0.44) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL4902972 0.77 L3MBTL1 (0.59) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL27562700 0.77 RAB9A (0.49) RAB9AKMT2AMEN1L3MBTL1MAPT
SCHEMBL1753283 0.77 RAB9A (0.85) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL4647100 0.76 POLB (0.49) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL9263357 0.76 KMT2A (0.60) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL4641827 0.74 POLB (0.54) NPC1RAB9AKMT2AL3MBTL1MAPT

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
US-20080184910-A1 Mixture of basic dye and wax XEROX CORPORATION 2008-08-07 US disclosed