SCHEMBL13815331

SCHEMBL13815331

CCCOc1cc(CO)cc(OCc2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FGFR1 P11362 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL13754822 0.92 F2 (0.43) F2F10PRSS1KDM4EATM
SCHEMBL13815330 0.88 F2 (0.35) F2F10PRSS1KDM4EATM
SCHEMBL13815329 0.81 CNR2 (0.37) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL13754824 0.80 CYP1A2 (0.47) F2F10PRSS1KDM4EATM
SCHEMBL10000337 0.80 HPGD (0.41) F2F10PRSS1KDM4EPTPN1
SCHEMBL13754821 0.79 F2 (0.39) F2F10PRSS1KDM4EATM
SCHEMBL3664509 0.78 KDM4E (0.57) F2F10PRSS1KDM4EATM
SCHEMBL13823282 0.76 MAOB (0.40) F2F10PRSS1KDM4EL3MBTL1
SCHEMBL13754819 0.76 CYP1A2 (0.51) F2F10PRSS1KDM4EATM
SCHEMBL14646379 0.73 LTA4H (0.42) L3MBTL1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541100-B2 Organic metal compounds in which compounds for host and compounds for dopant are connected, organic electroluminesence display devices using the compounds and method for preparation of the devices SAMSUNG DISPLAY CO., LTD. (KR) 2009-06-02 US disclosed