SCHEMBL3676615

SCHEMBL3676615

CCCc1cc(Cc2cc(CCC)c(CCC)c(Br)c2N)c(N)c(Br)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
NOS2 P35228 1/20 0.31
IKBKB O14920 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
SCHEMBL3672394 0.91 SKP2 (0.35) NOS2
SCHEMBL3676817 0.91 ALDH1A1 (0.33) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3679070 0.85 SKP2 (0.40) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3673501 0.81 ALDH1A1 (0.36) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3671259 0.79 CHRM1 (0.30) CYP1A2HIF1ANOS2IKBKB
SCHEMBL3674821 0.79 NOS2 (0.30) NOS2IKBKB
SCHEMBL3672623 0.76 GABRA1 (0.37) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3804549 0.74 NOS2 (0.36) ALDH1A1NOS2IKBKB
SCHEMBL3674256 0.74 KDM4E (0.33) ALDH1A1
SCHEMBL3674199 0.74 KDM4E (0.33) ALDH1A1

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