SCHEMBL2009887

SCHEMBL2009887

CCCCCCCCCCCCc1c(CC)c(CC)cc2sc3ccccc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
MCL1 Q07820 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 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
SCHEMBL27804756 0.80 LIPG (0.40) CNR2CNR1ALDH1A1KDM4EHPGD
SCHEMBL5408548 0.80 CNR2 (0.43) CNR2CNR1ALDH1A1KDM4EHPGD
SCHEMBL1518894 0.79 CNR2 (0.41) CNR2CNR1ALDH1A1KDM4EHPGD
SCHEMBL2386902 0.78 ALDH1A1 (0.43) CNR2CNR1ALDH1A1KDM4EHPGD
SCHEMBL28513746 0.77 MAOA (0.51) ALDH1A1KDM4EHPGDMAPTGAA
Acetic Acid SCHEMBL27783246 0.76 CYSLTR2 (0.43) CNR2CNR1ALDH1A1KDM4EHPGD
SCHEMBL15223486 0.76 LIPG (0.47) ALDH1A1KDM4EHPGDHSD17B10FAAH
SCHEMBL18352135 0.76 LIPG (0.47) ALDH1A1KDM4EHPGDHSD17B10FAAH
SCHEMBL15223487 0.76 LIPG (0.47) ALDH1A1KDM4EHPGDHSD17B10FAAH
SCHEMBL9299449 0.75 LIPG (0.46) CNR2CNR1FAAHMGLLMCL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011066198-A1 GROUP 13-15 INTERSTITIAL METAL HYDRIDE CATALYSTS AND ASSOCIATED PROCESSES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-06-03 WO disclosed