SCHEMBL9011644

SCHEMBL9011644

CCCCOCCCCOCCCCOCC(CC)CCCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.72
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP14 P50281 1/20 0.54
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
USP2 O75604 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
HTT P42858 2/20 0.40
CA2 P00918 1/20 0.40
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9011640 1.00 CYP3A4 (0.72) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL9011850 0.98 CYP3A4 (0.70) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL9011580 0.98 CYP3A4 (0.70) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL29886916 0.96 CYP3A4 (0.72) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL2241603 0.96 CYP3A4 (0.78) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL5469162 0.96 CYP3A4 (0.78) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL19050763 0.94 CYP3A4 (0.70) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL8639816 0.94 CYP3A4 (0.70) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL21238295 0.94 CYP3A4 (0.70) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL8644393 0.94 CYP3A4 (0.70) CYP3A4MMP9MMP8MMP14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5529874-A ETHER CARRIER LIQUID AND TONER PARTICLES DISPERSED THEREIN; SUITABLE FOR HIGH SPEED COPYING FUJI XEROX CO., LTD. (JP) 1996-06-25 US disclosed