SCHEMBL14929065

SCHEMBL14929065

CCOC(=O)c1cc(C2(c3ccc(C)c(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)ccc1OCCCCCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.38
THRB P10828 7/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 6/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 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
SCHEMBL14928845 1.00 THRA (0.38) THRATHRBCYP1A2CYP2D6CYP2C19
SCHEMBL14929066 0.99 CYP1A2 (0.38) THRATHRBCYP1A2CYP2D6CYP2C19
SCHEMBL14928823 0.96 CYP1A2 (0.41) THRATHRBCYP1A2CYP2D6CYP2C19
SCHEMBL14928860 0.94 KDM4E (0.41) THRATHRBCYP1A2CYP2D6CYP2C19
SCHEMBL14929147 0.88 MEN1 (0.35) CYP1A2CYP2C19KDM4EGAAALDH1A1
SCHEMBL13494970 0.86 PTPN11 (0.41) THRBKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL13400867 0.86 PTPN11 (0.41) THRBKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL10348169 0.85 KDM4E (0.33) THRATHRBCYP1A2CYP2D6CYP2C19
SCHEMBL10348405 0.85 KDM4E (0.35) THRATHRBKDM4E
SCHEMBL14946811 0.85 KDM4E (0.33) THRATHRBKDM4EGAA

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
US-9159922-B2 Method for manufacturing organic electroluminescent element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-8963422-B2 Method for manufacturing organic light-emitting device and organic light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-24 US disclosed
US-20130112966-A1 METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-09 US disclosed