SCHEMBL10153264

SCHEMBL10153264

COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7c8ccccc8c(-c8c9ccccc9c(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c9ccccc89)c8ccccc78)ccc5-6)ccc3-4)c3ccccc23)cc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.40
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MDM2 Q00987 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ACACA Q13085 1/20 0.34
SLC6A9 P48067 1/20 0.34
FAAH O00519 1/20 0.33
S1PR1 P21453 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
SCHEMBL10153211 1.00 PDK2 (0.40) PDK2KDM4EMAPTPTGS2PTGS1
SCHEMBL14600375 0.99 PDK2 (0.41) PDK2KDM4EMAPTPTGS2PTGS1
SCHEMBL10154023 0.99 PDK2 (0.41) PDK2KDM4EMAPTPTGS2PTGS1
SCHEMBL10153856 0.97 PDK2 (0.41) PDK2KDM4EMAPTPTGS2PTGS1
SCHEMBL10153251 0.96 KDM4E (0.39) PDK2KDM4EMAPTPTGS2PTGS1
SCHEMBL10153471 0.95 KDM4E (0.40) PDK2KDM4EMAPTPTGS2PTGS1
SCHEMBL10153900 0.95 KDM4E (0.40) PDK2KDM4EMAPTPTGS2PTGS1
SCHEMBL10153491 0.94 KDM4E (0.41) PDK2KDM4EMAPTPTGS2PTGS1
SCHEMBL10153567 0.89 PDK2 (0.41) PDK2KDM4EALDH1A1LMNAMDM2
SCHEMBL10153505 0.88 PDK2 (0.41) PDK2KDM4EMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221434-B1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEMICALS INC (JP) 2012-06-27 EP disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed