SCHEMBL8239507

SCHEMBL8239507

C=CCOC(=C)C(CCCCC(=O)OCC)(CCc1ccc(C#N)cc1)C(=O)OCC=C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 3/20 0.37
TSHR P16473 2/20 0.36
CYP4F11 Q9HBI6 1/20 0.35
CYP4F12 Q9HCS2 1/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
USP14 P54578 3/20 0.34
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.32
FFAR1 O14842 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL8234864 0.95 CYP4Z1 (0.39) CYP4Z1TSHRCYP4F11CYP4F12CYP4F2
SCHEMBL2295671 0.94 CYP4Z1 (0.39) CYP4Z1TSHRCYP4F11CYP4F12CYP4F2
SCHEMBL2289975 0.92 CYP4Z1 (0.37) CYP4Z1TSHRCYP4F11CYP4F12CYP4F2
SCHEMBL8233563 0.92 TSHR (0.36) CYP4Z1TSHRCYP4F11CYP4F12CYP4F2
SCHEMBL2291678 0.88 TSHR (0.39) CYP4Z1TSHRCYP4F11CYP4F12CYP4F2
SCHEMBL2289618 0.85 TSHR (0.37) CYP4Z1TSHRCYP4F11CYP4F12CYP4F2
SCHEMBL8240083 0.77 PTPRB (0.37) TSHRCYP4F2CYP4A11TDP1KDM4E
SCHEMBL8918786 0.74 MEN1 (0.42) TSHRCYP4F2CYP4A11USP14MAPK1
SCHEMBL8466268 0.73 CYP4Z1 (0.54) CYP4Z1TSHRCYP4F11CYP4F12CYP4F2
SCHEMBL2294364 0.72 PTPRB (0.40) TSHRCYP4F2CYP4A11TDP1KDM4E

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
WO-2007045370-A1 TETRAZOL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed