SCHEMBL4625976

SCHEMBL4625976

C/C=C/C(=O)OC1CCCCCCC1OC(=O)/C=C/C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
SERPINE1 P05121 2/20 0.34
EDNRA P25101 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GSTP1 P09211 1/20 0.33
EPHX1 P07099 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NAAA Q02083 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
SCHEMBL4781594 0.98 ATM (0.37) ATMSERPINE1EDNRAMEN1KMT2A
SCHEMBL4781593 0.98 ATM (0.37) ATMSERPINE1EDNRAMEN1KMT2A
SCHEMBL17686485 0.89 ATM (0.39) ATMEDNRAGSTP1
SCHEMBL19275518 0.86 CYP19A1 (0.41) ATMMEN1KMT2AGSTP1EPHX1
SCHEMBL3188398 0.84 EDNRA (0.46) ATMSERPINE1EDNRAMEN1KMT2A
SCHEMBL3188408 0.84 EDNRA (0.46) ATMSERPINE1EDNRAMEN1KMT2A
SCHEMBL19244484 0.83 EPHX1 (0.44) GSTP1EPHX1NAAA
SCHEMBL872686 0.83 EPHX1 (0.44) GSTP1EPHX1NAAA
SCHEMBL20856638 0.83 EPHX1 (0.44) GSTP1EPHX1NAAA
SCHEMBL872685 0.83 EPHX1 (0.44) GSTP1EPHX1NAAA

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
EP-1447217-B1 Heat-sensitive lithographic printing plate FUJIFILM CORP (JP) 2008-06-18 EP disclosed
EP-1447217-A2 Heat-sensitive lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2004-08-18 EP disclosed