SCHEMBL8635904

SCHEMBL8635904

CCN1CCC(C(=O)O)CC1Oc1ccc(Cc2ccsc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.41
S1PR5 Q9H228 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL8641938 0.87 LTA4H (0.52) LTA4HS1PR5
SCHEMBL8642217 0.85 LTA4H (0.42) LTA4HS1PR5
SCHEMBL8644367 0.83 LTA4H (0.42) LTA4HS1PR5PTGS1PTGS2
SCHEMBL8641269 0.80 LTA4H (0.48) LTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL8639324 0.79 LTA4H (0.54) LTA4HCYP2C19
SCHEMBL8637399 0.76 LTA4H (0.47) LTA4H
SCHEMBL8639297 0.76 SCN9A (0.42) S1PR5CYP2C9CYP2C19
SCHEMBL8641866 0.73 LTA4H (0.42) LTA4HS1PR5
SCHEMBL8639102 0.73 LTA4H (0.42) LTA4HS1PR5
SCHEMBL7139263 0.72 LTA4H (0.75) LTA4HS1PR5

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