SCHEMBL3670754

SCHEMBL3670754

CCCCc1c(Cc2cc(N)c(Cl)c(CCCC)c2CCCC)cc(N)c(Cl)c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.40
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TYMP P19971 4/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR8 Q9NR97 1/20 0.32
CTRC Q99895 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
SCHEMBL3674823 0.89 ALDH1A1 (0.32) TYMPNOS2ALDH1A1CYP1A2ALOX15
SCHEMBL3679071 0.80 SKP2 (0.44) SKP2HPGDNPSR1NPC1MAPK1
SCHEMBL3670344 0.79 SKP2 (0.40) SKP2HPGDNPSR1NPC1MAPK1
SCHEMBL3670753 0.77 SKP2 (0.35) SKP2HPGDNPSR1NPC1MAPK1
SCHEMBL3678947 0.77 ALDH1A1 (0.34) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3671802 0.74 SKP2 (0.35) SKP2HPGDNPSR1NPC1MAPK1
SCHEMBL10446044 0.72 HTT (0.42) SKP2HPGDNPSR1NPC1MAPK1
SCHEMBL3674981 0.72 TLR8 (0.33) SKP2HPGDNPSR1NPC1MAPK1
SCHEMBL3670115 0.72 SKP2 (0.47) SKP2HPGDNPSR1NPC1MAPK1
Phosphine SCHEMBL9358676 0.71 HTT (0.41) SKP2HPGDNPSR1NPC1MAPK1

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