SCHEMBL3671262

SCHEMBL3671262

CCCc1c(Cc2cc(N)c(I)c(CCC)c2CCC)cc(N)c(I)c1CCC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NOS2 P35228 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
SCHEMBL3670344 0.89 SKP2 (0.40) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3675791 0.80 ALDH1A1 (0.34) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3676617 0.78 ALDH1A1 (0.38) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3674823 0.77 ALDH1A1 (0.32) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3671259 0.72 CHRM1 (0.30) CYP1A2HIF1ANOS2
SCHEMBL5490266 0.71 NOS2 (0.34) NOS2
SCHEMBL840292 0.69 NOS2 (0.33) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL814318 0.69 NOS2 (0.37) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3674215 0.68 TLR8 (0.33) NOS2
SCHEMBL3679071 0.68 SKP2 (0.44) ALDH1A1CYP1A2ALOX15CASP7HIF1A

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