SCHEMBL13425909

SCHEMBL13425909

CCCCc1ccc(N(c2ccc(N(c3ccc(CCCC)cc3)c3ccc(C(C)(C)CCC)cc3)cc2)c2ccc(C(C)(C)CCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
KCNH2 Q12809 1/20 0.40
PLK1 P53350 1/20 0.39
CNR2 P34972 1/20 0.39
LPL P06858 4/20 0.39
LIPG Q9Y5X9 4/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.38
TNNC1 P63316 5/20 0.37
SGPL1 O95470 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
GPR183 P32249 1/20 0.37

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
SCHEMBL13354844 0.97 CA2 (0.41) CA2CA1KCNH2PLK1CNR2
SCHEMBL18531364 0.97 CA2 (0.41) CA2CA1KCNH2PLK1CNR2
SCHEMBL13434787 0.95 KCNH2 (0.47) CA2CA1KCNH2PLK1CNR2
SCHEMBL14228174 0.95 CNR2 (0.46) CA2CA1KCNH2PLK1CNR2
SCHEMBL14419136 0.92 CNR2 (0.48) CA2CA1CNR2LPLLIPG
SCHEMBL14390805 0.92 CNR2 (0.48) CA2CA1CNR2LPLLIPG
SCHEMBL13425901 0.91 CNR2 (0.43) CA2CA1KCNH2PLK1CNR2
SCHEMBL18533016 0.90 CNR2 (0.48) CA2CA1CNR2ALDH1A1HSD17B10
SCHEMBL14466891 0.90 CNR2 (0.42) CA2CA1KCNH2PLK1CNR2
SCHEMBL11887131 0.84 CA2 (0.47) CA2CA1KCNH2PLK1LPL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100096980-A1 BLOCK COPOLYMER AND POLYMER LIGHT-EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-22 US disclosed
US-7632908-B2 Substituted fluorene polymers, their preparation and use in optical devices CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2009-12-15 US disclosed