SCHEMBL8639100

SCHEMBL8639100

CCCC(Oc1ccc(Cc2ccccc2)cc1)N1CCC(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.54
S1PR5 Q9H228 5/20 0.45
S1PR1 P21453 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL8773765 0.78 LTA4H (0.70) LTA4HS1PR5S1PR1NPC1RAB9A
SCHEMBL3635096 0.77 LTA4H (0.60) LTA4HS1PR5S1PR1
SCHEMBL19535305 0.77 LTA4H (0.60) LTA4HS1PR5S1PR1
SCHEMBL8644136 0.73 LTA4H (0.48) LTA4HSMN1; SMN2PPARGPPARAL3MBTL1
SCHEMBL8773741 0.72 LTA4H (0.52) LTA4HS1PR5S1PR1L3MBTL1
SCHEMBL12130576 0.72 SLC6A3 (0.48) LTA4H
SCHEMBL1002589 0.70 LTA4H (1.00) LTA4H
SCHEMBL8641938 0.69 LTA4H (0.52) LTA4HS1PR5NPC1RAB9ASMN1; SMN2
SCHEMBL8773749 0.69 LTA4H (0.49) LTA4HS1PR5S1PR1TSHR
SCHEMBL8644161 0.68 LTA4H (0.86) LTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US claimed
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