SCHEMBL3670115

SCHEMBL3670115

CCCCc1c(N)ccc(Cc2ccc(N)c(CCCC)c2CCCC)c1CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
TYR P14679 2/20 0.36
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOS2 P35228 2/20 0.34
TLR8 Q9NR97 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CTRC Q99895 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL3672397 0.91 SKP2 (0.45) SKP2TYRNPC1HPGDMAPK1
SCHEMBL3674217 0.91 SKP2 (0.41) SKP2TYRNPC1HPGDMAPK1
SCHEMBL3674983 0.91 SKP2 (0.41) SKP2TYRNPC1HPGDMAPK1
SCHEMBL1239687 0.90 SKP2 (0.48) SKP2TYRNPC1HPGDMAPK1
SCHEMBL3671803 0.89 SKP2 (0.42) SKP2TYRNPC1HPGDMAPK1
SCHEMBL3675234 0.89 SKP2 (0.42) SKP2TYRNPC1HPGDMAPK1
SCHEMBL3669804 0.89 SKP2 (0.46) SKP2TYRNPC1HPGDMAPK1
Iodide SCHEMBL5087267 0.88 SKP2 (0.47) SKP2TYRNPC1HPGDMAPK1
Water SCHEMBL187705 0.88 SKP2 (0.47) SKP2TYRNPC1HPGDMAPK1
Hydrochloric Acid SCHEMBL4364768 0.88 SKP2 (0.47) SKP2TYRNPC1HPGDMAPK1

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 5 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
EP-0219709-A2 Polymethylene polyphenylamine modified diamine chain extenders and polyurea elastomers therefrom THE DOW CHEMICAL COMPANY (US) 1987-04-29 EP disclosed