SCHEMBL6404925

SCHEMBL6404925

CCCc1ccc(Cc2ccc(CCC)c(CCC)c2N)c(N)c1CCC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
PRKCI P41743 1/20 0.32
GAA P10253 2/20 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
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL7549767 0.91 NOS2 (0.37) NOS2KDM4EPOLBPRKCIGAA
SCHEMBL11700431 0.91 NOS2 (0.39) NOS2KDM4EPOLBPRKCIGAA
SCHEMBL3672843 0.90 TYR (0.39) NOS2KDM4EPOLBGAAMAPT
SCHEMBL3670448 0.89 KDM4E (0.37) NOS2KDM4EPOLBPRKCIGAA
SCHEMBL841241 0.84 NOS2 (0.34) NOS2KDM4EPOLBPRKCI
SCHEMBL3670114 0.83 TYR (0.40) NOS2KDM4EPOLBGAAMAPT
SCHEMBL3669924 0.83 NOS2 (0.35) NOS2KDM4EPOLBPRKCI
SCHEMBL20899637 0.83 NOS2 (0.37) NOS2KDM4EPOLBPRKCIGAA
SCHEMBL27614257 0.83 NOS2 (0.46) NOS2KDM4EPOLBPRKCIGAA
SCHEMBL28183523 0.81 NOS2 (0.48) NOS2KDM4EPOLBPRKCIGAA

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-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