SCHEMBL3674823

SCHEMBL3674823

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

nearest known ligand 0.32

Predicted protein targets (top 8)

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
TYMP P19971 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
SCHEMBL3670754 0.89 SKP2 (0.40) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3678947 0.80 ALDH1A1 (0.34) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3676617 0.78 ALDH1A1 (0.38) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3671262 0.77 ALDH1A1 (0.32) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3674821 0.76 NOS2 (0.30) NOS2
SCHEMBL3674981 0.72 TLR8 (0.33) NOS2
SCHEMBL5490266 0.71 NOS2 (0.34) NOS2
SCHEMBL817016 0.71 DHFR (0.36)
SCHEMBL3674256 0.70 KDM4E (0.33) ALDH1A1
SCHEMBL840292 0.69 NOS2 (0.33) 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