SCHEMBL3670448

SCHEMBL3670448

CCCc1ccc(Cc2ccc(CCC)c(CC)c2N)c(N)c1CC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.33
NOS2 P35228 2/20 0.32
PRKCI P41743 1/20 0.31
NOS3 P29474 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6404925 0.89 NOS2 (0.37) KDM4EPOLBALDH1A1NOS2PRKCI
SCHEMBL3674137 0.85 GABRA1 (0.36) POLBALDH1A1NOS2NOS3GAA
SCHEMBL841241 0.83 NOS2 (0.34) KDM4EPOLBNOS2PRKCI
SCHEMBL7549767 0.81 NOS2 (0.37) KDM4EPOLBALDH1A1NOS2PRKCI
SCHEMBL615425 0.80 GABRA1 (0.36) POLBNOS2NOS3GAAMAPT
SCHEMBL11700431 0.80 NOS2 (0.39) KDM4EPOLBALDH1A1NOS2PRKCI
SCHEMBL3672843 0.80 TYR (0.39) KDM4EPOLBALDH1A1NOS2GAA
SCHEMBL3670114 0.78 TYR (0.40) KDM4EPOLBALDH1A1NOS2GAA
SCHEMBL27508198 0.77 POLB (0.34) KDM4EPOLBALDH1A1NOS2PRKCI
SCHEMBL3668915 0.77 IKBKB (0.36) KDM4EPOLBALDH1A1NOS2PRKCI

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
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed