SCHEMBL21784314

SCHEMBL21784314

CCOC(=O)CCNCCCC(O)OCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 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
SCHEMBL23643036 0.82 MGAM (0.42) LTA4HKMT2APOLBL3MBTL1CYP1A2
SCHEMBL20937509 0.81 LTA4H (0.52) LTA4HKMT2APOLBCYP1A2MGAM
SCHEMBL20937053 0.79 LTA4H (0.54) LTA4HKMT2APOLBCYP1A2MGAM
SCHEMBL1327984 0.79 CYP1A2 (0.55) LTA4HPOLBCYP1A2MGAMGAA
Hydrochloric Acid SCHEMBL1274072 0.79 LTA4H (0.54) LTA4HKMT2APOLBCYP1A2MGAM
SCHEMBL4464939 0.79 GAA (0.59) LTA4HKMT2APOLBL3MBTL1CYP1A2
SCHEMBL14241233 0.79 L3MBTL1 (0.42) LTA4HKMT2APOLBL3MBTL1CYP1A2
SCHEMBL5011369 0.78 LTA4H (0.50) LTA4HKMT2APOLBCYP1A2MGAM
SCHEMBL16213690 0.78 L3MBTL1 (0.41) LTA4HKMT2APOLBL3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL11851530 0.77 GAA (0.56) LTA4HKMT2APOLBL3MBTL1CYP1A2

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-2020047186-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2020-03-05 WO disclosed