SCHEMBL9328907

SCHEMBL9328907

CC(C)N(C)CCCOc1ccc(C(=O)O)c(Cc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
LTA4H P09960 12/20 0.47
MAOB P27338 5/20 0.44
HRH1 P35367 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 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
SCHEMBL10493530 0.83 LTB4R (0.49) LTB4RLTB4R2LTA4HMAOB
SCHEMBL6539246 0.82 MAPK1 (0.52) LTB4RLTB4R2MAOB
SCHEMBL542829 0.76 LTB4R (0.60) LTB4RLTB4R2MAOB
SCHEMBL3098374 0.75 MTNR1A (0.58) LTA4HHRH1
SCHEMBL6538645 0.74 LTB4R (0.47) LTB4RLTB4R2MAOB
SCHEMBL7552353 0.74 LTA4H (0.64) LTA4HACHE
SCHEMBL26210242 0.74 ALDH1A1 (0.56)
SCHEMBL7141067 0.73 LTA4H (0.67) LTA4H
Hydrochloric Acid SCHEMBL8415688 0.73 ALDH1A1 (0.55)
SCHEMBL16421292 0.72 LSS (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589018-A1 AMINES AS INHIBITORS OF SQUALENE SYNTHASE ZENECA LIMITED (GB) 1994-03-30 EP disclosed
WO-1993020807-A1 AMINES AS INHIBITORS OF SQUALENE SYNTHASE ZENECA LIMITED (GB) 1993-10-28 WO disclosed