SCHEMBL2834091

SCHEMBL2834091

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
APP P05067 6/20 0.40
ACHE P22303 1/20 0.39
HSD17B3 P37058 1/20 0.37
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL2835670 0.94 MEN1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2834422 0.93 ACHE (0.45) ACHEHSD17B3MEN1MAPTKMT2A
SCHEMBL2831495 0.91 HPGD (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2836351 0.86 ALDH1A1 (0.47) ACHEMEN1MAPTKMT2AALDH1A1
SCHEMBL2835472 0.84 NPC1 (0.40) ACHEMEN1MAPTKMT2AALDH1A1
SCHEMBL2830167 0.74 MEN1 (0.35) ACHEMEN1KMT2ANPSR1RAB9A
SCHEMBL2835552 0.71 HTR1A (0.36) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL2838798 0.69 GAA (0.40) MEN1MAPTKMT2AALDH1A1TDP1
SCHEMBL9915598 0.67 APP (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2835606 0.66 MAPT (0.41) MEN1MAPTKMT2AALDH1A1TDP1

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