SCHEMBL8773749

SCHEMBL8773749

CCC(CN1CCC(C(=O)O)CC1)Oc1ccc(Cc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.49
S1PR5 Q9H228 6/20 0.45
ACACB O00763 1/20 0.42
SLC18A3 Q16572 1/20 0.42
S1PR1 P21453 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL3635096 0.91 LTA4H (0.60) LTA4HS1PR5SLC18A3S1PR1
SCHEMBL19535305 0.91 LTA4H (0.60) LTA4HS1PR5SLC18A3S1PR1
SCHEMBL8773741 0.79 LTA4H (0.52) LTA4HS1PR5S1PR1
SCHEMBL8773765 0.78 LTA4H (0.70) LTA4HS1PR5S1PR1
SCHEMBL7138681 0.76 LTA4H (0.82) LTA4HS1PR5
SCHEMBL8773785 0.74 LTA4H (0.44) LTA4HS1PR5SLC18A3S1PR1
SCHEMBL7138408 0.74 LTA4H (0.71) LTA4HTSHR
SCHEMBL5752956 0.73 KDM4E (0.54)
SCHEMBL5751377 0.72 SIGMAR1 (0.45) TSHR
SCHEMBL6994717 0.71 HTR2A (0.64) S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP claimed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO claimed
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed