SCHEMBL2836320

SCHEMBL2836320

O=C(c1cc2ccccc2o1)C1COc2c1cccc2N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
NPSR1 Q6W5P4 5/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 3/20 0.54
ATM Q13315 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
POLB P06746 2/20 0.48
HPGD P15428 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 4/20 0.46
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 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
SCHEMBL2831600 0.76 MAPT (0.44) ALDH1A1NPC1SMN1; SMN2MAPTATM
SCHEMBL2833240 0.73 MAPT (0.46) ALDH1A1NPSR1NPC1SMN1; SMN2MAPT
SCHEMBL19864572 0.65 ALDH1A1 (1.00) ALDH1A1NPSR1NPC1SMN1; SMN2MAPT
SCHEMBL15170873 0.65 ALDH1A1 (1.00) ALDH1A1NPSR1NPC1SMN1; SMN2MAPT
SCHEMBL31061078 0.65 FLT3 (1.00) ALDH1A1NPSR1NPC1SMN1; SMN2MAPT
SCHEMBL244107 0.65 FLT3 (1.00) ALDH1A1NPSR1NPC1SMN1; SMN2MAPT
SCHEMBL5866945 0.64 ALDH1A1 (0.49) ALDH1A1NPSR1NPC1SMN1; SMN2MAPT
SCHEMBL14154597 0.64 ALDH1A1 (0.53) ALDH1A1NPSR1NPC1SMN1; SMN2MAPT
SCHEMBL5867498 0.64 MAOA (0.56) ALDH1A1NPSR1NPC1SMN1; SMN2MAPT
SCHEMBL5867030 0.63 KDM4E (0.48) ALDH1A1NPSR1NPC1SMN1; SMN2MAPT

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-8192898-B2 Composition for fluorine-containing volume holographic data recording material and fluorine-containing volume holographic data recording media made of same DAIKIN INDUSTRIES, LTD. (JP) 2012-06-05 US disclosed
US-20100112460-A1 COMPOSITION FOR FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MATERIAL AND FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MEDIA MADE OF SAME UMEDA CENTER BUILDING (JP) 2010-05-06 US disclosed