SCHEMBL2838798

SCHEMBL2838798

CCOC(=O)C1COc2c1cccc2N(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TSHR P16473 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL2830167 0.85 MEN1 (0.35) GAAMGAMAMY1ASIMGAM2
SCHEMBL20480676 0.81 KDM4E (0.45) GAAMGAMAMY1ASIMGAM2
SCHEMBL20480423 0.78 TDP1 (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL18740900 0.76 POLB (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL2835606 0.76 MAPT (0.41) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL10898266 0.76 MEN1 (0.41) GAAMGAMAMY1ASIMGAM2
SCHEMBL2831418 0.75 ALDH1A1 (0.39) GAACYP2C19MEN1KMT2AKDM4E
SCHEMBL2836351 0.72 ALDH1A1 (0.47) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL2831600 0.72 MAPT (0.44) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL2834422 0.71 ACHE (0.45) CYP1A2MEN1KMT2AKDM4EALDH1A1

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