SCHEMBL8943687

SCHEMBL8943687

CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(Oc3ccc(N(c4ccc(OCC(CC)CCCC)cc4)c4ccc(OCC(CC)CCCC)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LTA4H P09960 5/20 0.44
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
APP P05067 1/20 0.38
MAPK1 P28482 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL8943702 0.90 TDP1 (0.50) CYP3A4ALDH1A1LMNAHSD17B10CA2
SCHEMBL8943906 0.90 ALDH1A1 (0.47) CYP3A4ALDH1A1LMNAHSD17B10LTA4H
SCHEMBL13321986 0.88 TDP1 (0.50) CYP3A4ALDH1A1LMNAHSD17B10CA2
SCHEMBL2856507 0.88 CYP3A4 (0.44) CYP3A4ALDH1A1LMNAHSD17B10CA2
SCHEMBL14645485 0.88 TDP1 (0.50) CYP3A4ALDH1A1LMNAHSD17B10CA2
SCHEMBL1356320 0.87 ALDH1A1 (0.50) CYP3A4ALDH1A1LMNAHSD17B10CA2
SCHEMBL1357035 0.87 ALDH1A1 (0.50) CYP3A4ALDH1A1LMNAHSD17B10CA2
SCHEMBL12589629 0.86 ALDH1A1 (0.60) CYP3A4ALDH1A1LMNAHSD17B10CA2
SCHEMBL13322023 0.86 LMNA (0.46) CYP3A4ALDH1A1LMNAHSD17B10CA2
SCHEMBL10057744 0.86 TDP1 (0.47) CYP3A4ALDH1A1LMNAHSD17B10CA2

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed