SCHEMBL7717399

SCHEMBL7717399

CCCCCCCCCCCCOc1cc(C=Cc2ccc(Nc3ccccc3-c3cccc(C)c3)cc2)c(OCCCCCCCCCCCC)c(C=Cc2ccc(Nc3ccccc3-c3cccc(C)c3)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PLA2G1B P04054 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
APP P05067 9/20 0.33
PTPN11 Q06124 2/20 0.33
MAPT P10636 1/20 0.33
CDC25B P30305 1/20 0.33
AHR P35869 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL7717403 0.84 HDAC8 (0.38) HDAC8APPPTPN11CDC25BAHR
SCHEMBL7717152 0.81 CYP19A1 (0.43) ALDH1A1MAPT
SCHEMBL7717151 0.79 NPSR1 (0.41) MEN1ALDH1A1LMNAPLA2G1BKMT2A
SCHEMBL7716047 0.79 NPSR1 (0.41) MEN1ALDH1A1LMNAPLA2G1BKMT2A
SCHEMBL7717396 0.76 CHRNA7 (0.38) AHR
SCHEMBL7717703 0.70 NR4A1 (0.41) MEN1ALDH1A1LMNAPLA2G1BKMT2A
SCHEMBL7877481 0.70 TDP1 (0.44) MEN1ALDH1A1LMNAPLA2G1BKMT2A
SCHEMBL130522 0.69 NPSR1 (0.46) MEN1ALDH1A1LMNAPLA2G1BKMT2A
SCHEMBL7719724 0.68 CHRM3 (0.38) MEN1ALDH1A1LMNAPLA2G1BKMT2A
SCHEMBL17246941 0.68 NPSR1 (0.56) MEN1ALDH1A1LMNAPLA2G1BKMT2A

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