SCHEMBL3234897

SCHEMBL3234897

CCCCn1c(C)c(C2(c3ccc(N(CC)CC)cc3OCC)OC(=O)c3ncccc32)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.37
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 3/20 0.34
PGR P06401 2/20 0.34
RORA P35398 2/20 0.34
RORC P51449 2/20 0.34
RORB Q92753 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CNR1 P21554 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 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
SCHEMBL3187839 0.98 CNR2 (0.40) CNR2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3190315 0.97 CNR2 (0.39) CNR2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3190107 0.97 CNR2 (0.39) CNR2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3181448 0.97 CNR2 (0.39) CNR2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3171252 0.97 CNR2 (0.39) CNR2KDM4EALDH1A1KMT2AMEN1
SCHEMBL29735694 0.92 GSK3A (0.36) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL211485 0.92 GSK3A (0.36) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL25187494 0.91 PDE4A (0.36) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL25183630 0.90 PDE4A (0.35) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3180248 0.90 MAPT (0.35) KDM4ELMNAALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288313-B2 Thermal recording material MITSUBISHI PAPER MILLS LIMITED (JP) 2012-10-16 US disclosed
US-20100069240-A1 THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LIMITED (JP) 2010-03-18 US disclosed
US-6960553-B2 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. (JP) 2005-11-01 US disclosed
US-20030186810-A1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. 2003-10-02 US disclosed