SCHEMBL4084301

SCHEMBL4084301

CCCCCCCCCCCCc1ccc(-c2ccc(OCCCCCCC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.65
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
LMNA P02545 2/20 0.65
USP2 O75604 1/20 0.65
MAPK1 P28482 1/20 0.65
CASP1 P29466 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
SLCO1B3 Q9NPD5 1/20 0.65
SLCO1B1 Q9Y6L6 1/20 0.65
HSD17B10 Q99714 2/20 0.60
TSHR P16473 1/20 0.60
RARB P10826 7/20 0.59
NR5A1 Q13285 1/20 0.58
CYP2D6 P10635 1/20 0.56
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RARA P10276 1/20 0.54

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
SCHEMBL19756376 1.00 CYP3A4 (0.65) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL20437099 1.00 CYP3A4 (0.65) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL8375389 1.00 CYP3A4 (0.65) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL13785249 1.00 CYP3A4 (0.65) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL10980724 1.00 CYP3A4 (0.65) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL7584187 0.96 CYP3A4 (0.64) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL9664787 0.95 CYP3A4 (0.62) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL9357898 0.94 ALDH1A1 (0.71) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL13763215 0.94 ALDH1A1 (0.71) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL10569132 0.94 ALDH1A1 (0.71) CYP3A4ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550181-B2 Information recording medium DAI NIPPON PRINTING CO., LTD. (JP) 2009-06-23 US disclosed
US-7399426-B2 Liquid crystalline organic semiconductor material and organic semiconductor structure using the same DAI NIPPON PRINTING CO., LTD. (JP) 2008-07-15 US disclosed
EP-1022732-B1 Information recording medium DAINIPPON PRINTING CO LTD (JP) 2005-10-26 EP disclosed
US-20050224755-A1 Liquid crystalline organic semiconductor material and organic semiconductor structure using the same DAI NIPPON PRINTING CO., LTD. (JP) 2005-10-13 US disclosed
US-20040095517-A1 Information recording medium DAI NIPPON PRINTING CO., LTD. (JP) 2004-05-20 US disclosed
US-20030129326-A1 INFORMATION RECORDING MEDIUM DAI NIPPON PRINTING CO., LTD. (JP) 2003-07-10 US disclosed
EP-1022732-A1 Information recording medium DAI NIPPON PRINTING CO., LTD. (JP) 2000-07-26 EP disclosed