SCHEMBL7719724

SCHEMBL7719724

CCCCC(O)c1ccc(Nc2ccccc2-c2cccc(C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.38
FAAH O00519 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
PLA2G1B P04054 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 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
SCHEMBL7719726 0.80 CNR1 (0.44) FAAHALDH1A1MEN1KMT2ALMNA
SCHEMBL130522 0.78 NPSR1 (0.46) CHRM3ALDH1A1MEN1KMT2ALMNA
SCHEMBL17246941 0.77 NPSR1 (0.56) ALDH1A1MEN1KMT2ALMNAPLA2G1B
SCHEMBL1492925 0.76 NPSR1 (0.41) CHRM3ALDH1A1MEN1KMT2ALMNA
SCHEMBL1505781 0.76 NPSR1 (0.43) CHRM3ALDH1A1MEN1KMT2ALMNA
SCHEMBL332285 0.75 NPSR1 (0.44) CHRM3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7865722 0.74 MAPT (0.44) CHRM3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7877470 0.74 L3MBTL1 (0.46) CHRM3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7877481 0.74 TDP1 (0.44) CHRM3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7717151 0.73 NPSR1 (0.41) CHRM3ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-20020185634-A1 Two-photon or higher-order absorbing optical materials and methods of use CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-12-12 US disclosed
US-6267913-B1 IN HOLOGRAPHYL, BIOLOGY, OPTICAL DATA STORAGE CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-07-31 US disclosed