SCHEMBL3670341

SCHEMBL3670341

CCCCc1cc(Cc2cc(CCCC)c(CCCC)c(I)c2N)c(N)c(I)c1CCCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.35
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
TLR8 Q9NR97 2/20 0.34
NOS2 P35228 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33

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
SCHEMBL3674215 0.95 TLR8 (0.33) SKP2NPC1HPGDMAPK1HTT
SCHEMBL3675232 0.86 SKP2 (0.35) SKP2NPC1HPGDMAPK1HTT
SCHEMBL3671259 0.86 CHRM1 (0.30) NOS2IKBKB
SCHEMBL3674199 0.81 KDM4E (0.33)
SCHEMBL3679070 0.81 SKP2 (0.40) SKP2NPC1HPGDMAPK1HTT
SCHEMBL3670753 0.79 SKP2 (0.35) SKP2NPC1HPGDMAPK1HTT
SCHEMBL3672394 0.76 SKP2 (0.35) SKP2NPC1HPGDMAPK1HTT
SCHEMBL840604 0.75 ALOX5 (0.40) HPGDHTTTLR8TYR
SCHEMBL3678215 0.75 IKBKB (0.33) NOS2IKBKB
SCHEMBL3674981 0.75 TLR8 (0.33) SKP2NPC1HPGDMAPK1HTT

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