SCHEMBL8644136

SCHEMBL8644136

CCC(Oc1ccc(Cc2ccccc2)cc1)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.48
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
ACE P12821 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8639100 0.73 LTA4H (0.54) LTA4HPPARGPPARASMN1; SMN2LMNA
SCHEMBL8773741 0.72 LTA4H (0.52) LTA4HL3MBTL1
SCHEMBL1894379 0.71 KDM4E (0.44) ACEALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL8635942 0.71 LTA4H (0.79) LTA4H
SCHEMBL19535305 0.70 LTA4H (0.60) LTA4H
SCHEMBL3635096 0.70 LTA4H (0.60) LTA4H
SCHEMBL21241445 0.70 ACE (0.45) LTA4HACEALDH1A1SMN1; SMN2
SCHEMBL7250988 0.70 CHRNB4 (0.41)
SCHEMBL7138655 0.70 LTA4H (0.71) LTA4HALDH1A1SMN1; SMN2HRH3LMNA
SCHEMBL8635939 0.69 LTA4H (0.60) LTA4HALDH1A1SMN1; SMN2HRH3L3MBTL1

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed