SCHEMBL7908850

SCHEMBL7908850

O=C(O)[C@H]1CCC[C@H]1CO

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.47
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRR1 P24046 4/20 0.38
GABRR2 P28476 1/20 0.38

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
SCHEMBL9376361 0.95 PEPD (0.42) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL11447685 0.95 PEPD (0.42) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL11447684 0.95 PEPD (0.42) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL7907529 0.95 PEPD (0.42) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL13761134 0.95 PEPD (0.42) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL29517205 0.85
SCHEMBL23819458 0.79 PEPD (0.45) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL15494112 0.79 PEPD (0.45) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL9034583 0.79 PEPD (0.45) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL21207444 0.79 PEPD (0.45) PEPDMEN1BLMKMT2AGABRR1

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
US-6207862-B1 PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, BIOCATALYTICS, INC. 2001-03-27 US disclosed
US-5916786-A Method for the production of chiral 1,3-aminoalcohols BIOCATALYTICS, INC. (US) 1999-06-29 US disclosed