SCHEMBL2834422

SCHEMBL2834422

CCN(CC)c1cccc2c1OCC2C(=O)C=Cc1ccc(N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
HSD17B3 P37058 1/20 0.42
MAPT P10636 8/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
TLR9 Q9NR96 4/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
ALPG P10696 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
RECQL P46063 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL2836351 0.94 ALDH1A1 (0.47) ACHEMAPTKMT2AMEN1TLR9
SCHEMBL2834091 0.93 HDAC3 (0.43) ACHEHSD17B3MAPTKMT2AMEN1
SCHEMBL2835472 0.91 NPC1 (0.40) ACHEMAPTKMT2AMEN1TLR9
SCHEMBL2835670 0.86 MEN1 (0.40) MAPTKMT2AMEN1TLR9ALDH1A1
SCHEMBL2831495 0.84 HPGD (0.35) ACHEMAPTKMT2AMEN1TLR9
SCHEMBL2835552 0.77 HTR1A (0.36) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL2830167 0.76 MEN1 (0.35) ACHEKMT2AMEN1NPSR1RAB9A
SCHEMBL2838798 0.71 GAA (0.40) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL2835606 0.68 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL2835547 0.68 GAA (0.37) ACHEMAPTALDH1A1SMN1; SMN2KDM4E

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