SCHEMBL2831600

SCHEMBL2831600

CCN(CC)c1cccc2c1OCC2C(=O)c1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MAPK1 P28482 2/20 0.43
HCRTR1 O43613 1/20 0.43
POLB P06746 1/20 0.42
FLT3 P36888 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
HDAC3 O15379 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL2835606 0.78 MAPT (0.41) MAPTMAPK1HCRTR1POLBALDH1A1
SCHEMBL2830167 0.77 MEN1 (0.35) MEN1KMT2ARAB9A
SCHEMBL2836320 0.76 ALDH1A1 (0.54) MAPTMAPK1POLBFLT3ALDH1A1
SCHEMBL2831418 0.73 ALDH1A1 (0.39) MAPTMAPK1POLBALDH1A1MEN1
SCHEMBL2838798 0.72 GAA (0.40) MAPTPOLBALDH1A1HPGDMEN1
SCHEMBL3724437 0.66 ALDH1A1 (0.62) MAPTMAPK1FLT3ALDH1A1HPGD
SCHEMBL2835472 0.66 NPC1 (0.40) MAPTMAPK1POLBALDH1A1HPGD
SCHEMBL2836351 0.66 ALDH1A1 (0.47) MAPTMAPK1POLBALDH1A1HPGD
SCHEMBL10155752 0.65 FLT3 (0.67) MAPTMAPK1FLT3ALDH1A1HPGD
SCHEMBL145996 0.65 SMN1; SMN2 (0.51) MAPTPOLBALDH1A1HPGDMEN1

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