SCHEMBL8444542

SCHEMBL8444542

NC(=O)[C@H]1CCCC[C@@H]1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
TDP1 Q9NUW8 1/20 0.36
GRM4 Q14833 1/20 0.35
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
ALOX5 P09917 2/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PEPD P12955 1/20 0.32
SI P14410 1/20 0.31
CNR2 P34972 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL3191783 1.00 EPHX1 (0.50) EPHX1TDP1GRM4PSEN1PSEN2
SCHEMBL6821952 1.00 EPHX1 (0.50) EPHX1TDP1GRM4PSEN1PSEN2
SCHEMBL7899582 1.00 EPHX1 (0.50) EPHX1TDP1GRM4PSEN1PSEN2
SCHEMBL7912637 0.95 EPHX1 (0.45) EPHX1TDP1GRM4PSEN1PSEN2
SCHEMBL16705043 0.80 EPHX1 (0.48) EPHX1TDP1GRM4PSEN1PSEN2
SCHEMBL28117191 0.80 EPHX1 (0.54) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL15774888 0.80 EPHX1 (0.48) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL9376361 0.79 PEPD (0.42) TDP1PEPD
SCHEMBL7907529 0.79 PEPD (0.42) TDP1PEPD
SCHEMBL13761134 0.79 PEPD (0.42) TDP1PEPD

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
EP-1724260-A1 Process for the synthesis of ¬2S, 3aR, 7aS|-octahydroindole-2-carboxylic acid and its conversion to trandolapril Sochinaz SA (CH) 2006-11-22 EP disclosed