SCHEMBL10153471

SCHEMBL10153471

COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7c8ccccc8c(-c8ccc(OC)c(C)c8)c8ccccc78)ccc5-6)ccc3-4)c3ccccc23)cc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.39
PDK2 Q15119 2/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
ACACA Q13085 1/20 0.36
FAAH O00519 1/20 0.35
ALDH1A1 P00352 2/20 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
ATM Q13315 1/20 0.35

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
SCHEMBL10153251 0.99 KDM4E (0.39) KDM4EMAPTPTGS2PTGS1PDK2
SCHEMBL10153491 0.99 KDM4E (0.41) KDM4EMAPTPTGS2PTGS1PDK2
SCHEMBL10153900 0.97 KDM4E (0.40) KDM4EMAPTPTGS2PTGS1PDK2
SCHEMBL10154023 0.96 PDK2 (0.41) KDM4EMAPTPTGS2PTGS1PDK2
SCHEMBL10153211 0.95 PDK2 (0.40) KDM4EMAPTPTGS2PTGS1PDK2
SCHEMBL10153264 0.95 PDK2 (0.40) KDM4EMAPTPTGS2PTGS1PDK2
SCHEMBL10153856 0.95 PDK2 (0.41) KDM4EMAPTPTGS2PTGS1PDK2
SCHEMBL14600375 0.94 PDK2 (0.41) KDM4EMAPTPTGS2PTGS1PDK2
SCHEMBL10153164 0.86 IDO1 (0.42) KDM4EMAPTPDK2PDGFRAACACA
SCHEMBL10153607 0.85 IDO1 (0.41) KDM4EMAPTPDK2PDGFRAACACA

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