SCHEMBL14928823

SCHEMBL14928823

CCOC(=O)c1cc(C2(c3ccc(C)c(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)ccc1OCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 2/20 0.34
TTR P02766 1/20 0.34
CYP2C8 P10632 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRA1A P35348 1/20 0.34
PPARG P37231 1/20 0.34
HTR2B P41595 1/20 0.34
PPARA Q07869 1/20 0.34
SLCO1B3 Q9NPD5 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
SCHEMBL14929066 0.97 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL14929065 0.96 THRA (0.38) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL14928845 0.96 THRA (0.38) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL14928860 0.96 KDM4E (0.41) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL14929147 0.89 MEN1 (0.35) CYP1A2CYP2C19ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14928851 0.88 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL14946809 0.86 CYP1A2 (0.33) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL10348172 0.85 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL13400867 0.84 PTPN11 (0.41) ALDH1A1SMN1; SMN2KDM4EGAATHRB
SCHEMBL13494970 0.84 PTPN11 (0.41) ALDH1A1SMN1; SMN2KDM4EGAATHRB

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