SCHEMBL17149155

SCHEMBL17149155

Cc1cc(COCC(C)C)cc(C)c1OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.35
SCN4A P35499 2/20 0.33
PLAU P00749 2/20 0.33
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
PTPN1 P18031 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL24420982 0.79 PLAU (0.35) PLAUFFAR4
SCHEMBL17149189 0.77 PPARG (0.34) SCN4APLAU
SCHEMBL17149158 0.74 RARA (0.39) SCN4APLAU
SCHEMBL17149139 0.74 NOS3 (0.36) PLAUFFAR4
SCHEMBL17149153 0.74 TACR1 (0.34) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL28091694 0.73 PLAU (0.35) SCN4APLAU
SCHEMBL22801001 0.72 PLAU (0.39) TACR1PLAUFFAR4
SCHEMBL23743711 0.72 ALDH1A1 (0.44) TACR1PLAUFFAR4
SCHEMBL24703698 0.72 FFAR4 (0.36) PLAUFFAR4
SCHEMBL17149149 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815997-B2 Organic electroluminescence device and ink composition IDEMITSU KOSAN CO., LTD. (JP) 2017-11-14 US disclosed
US-20150284580-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND INK COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2015-10-08 US disclosed