SCHEMBL3674821

SCHEMBL3674821

CCCc1cc(Cc2cc(CCC)c(CCC)c(Cl)c2N)c(N)c(Cl)c1CCC

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL3674981 0.91 TLR8 (0.33) NOS2
SCHEMBL3674256 0.91 KDM4E (0.33)
SCHEMBL3670753 0.86 SKP2 (0.35) NOS2IKBKB
SCHEMBL3668949 0.81 IKBKB (0.33) NOS2IKBKB
SCHEMBL3676615 0.79 ALDH1A1 (0.32) NOS2IKBKB
SCHEMBL3671259 0.78 CHRM1 (0.30) NOS2IKBKB
SCHEMBL3678945 0.77 DHFR (0.36)
SCHEMBL3674823 0.76 ALDH1A1 (0.32) NOS2
SCHEMBL3676817 0.74 ALDH1A1 (0.33) IKBKB
SCHEMBL3804549 0.73 NOS2 (0.36) NOS2IKBKB

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