SCHEMBL2830167

SCHEMBL2830167

CCN(CC)c1cccc2c1OCC2C(=O)C1COc2c1cccc2N(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 4/20 0.34
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.33
DRD2 P14416 1/20 0.33
RAB9A P51151 1/20 0.33
PSMB5 P28074 2/20 0.32
PSMB8 P28062 1/20 0.32

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
SCHEMBL2831715 0.86 DRD2 (0.38) MEN1KMT2AACHEBCHENPSR1
SCHEMBL2838798 0.85 GAA (0.40) MEN1USP2KMT2AMGAMAMY1A
SCHEMBL2835547 0.84 GAA (0.37) P2RX7MGAMAMY1AGAASI
SCHEMBL2835606 0.82 MAPT (0.41) MEN1KMT2AGAAHTTNPSR1
SCHEMBL2831418 0.81 ALDH1A1 (0.39) MEN1USP2KMT2AGAANPSR1
SCHEMBL2836351 0.78 ALDH1A1 (0.47) MEN1USP2KMT2AGAAACHE
SCHEMBL2831600 0.77 MAPT (0.44) MEN1KMT2ARAB9A
SCHEMBL2834422 0.76 ACHE (0.45) MEN1USP2KMT2AACHENPSR1
SCHEMBL2835472 0.75 NPC1 (0.40) MEN1USP2KMT2AACHEHTT
SCHEMBL2835670 0.75 MEN1 (0.40) MEN1USP2KMT2ANPSR1RAB9A

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