SCHEMBL7561582

SCHEMBL7561582

CCCCC(CC)COc1cc(COP(=O)(CC)CC)c(OC)cc1COP(=O)(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
HTR2A P28223 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL13141996 0.84 TAAR1 (0.47) CYP3A4L3MBTL1ALDH1A1MAPK1HTR2A
SCHEMBL6297843 0.82 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1MAPK1HTR2A
SCHEMBL3475893 0.80 ALDH1A1 (0.41) CYP3A4L3MBTL1ALDH1A1MAPK1HTR2A
SCHEMBL7560241 0.80 TAAR1 (0.43) CYP3A4L3MBTL1HTR2ATAAR1
SCHEMBL1031784 0.79 HTR2A (0.40) CYP3A4L3MBTL1ALDH1A1MAPK1HTR2A
SCHEMBL7743891 0.79 HTR2A (0.40) CYP3A4L3MBTL1ALDH1A1MAPK1HTR2A
SCHEMBL666868 0.79 HTR2A (0.43) CYP3A4L3MBTL1HTR2ATAAR1
SCHEMBL7745907 0.79 HTR2A (0.40) CYP3A4L3MBTL1ALDH1A1MAPK1HTR2A
SCHEMBL23201542 0.78 CYP3A4 (0.47) CYP3A4L3MBTL1ALDH1A1MAPK1CA2
SCHEMBL2862112 0.78 CYP3A4 (0.39) CYP3A4L3MBTL1ALDH1A1MAPK1HTR2A

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-6403238-B1 INCREASED OPERATING TEMPERATURE RANGE; EMBEDDED BETWEEN CHARGE CARRIER-INJECTING LAYERS SAMSUNG DISPLAY CO., LTD. (KR) 2002-06-11 US disclosed