SCHEMBL8637374

SCHEMBL8637374

CCCC(N)(C(=O)OC)C(C)Oc1ccc(Cc2ccsc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 2/20 0.34
ELANE P08246 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
SIRT5 Q9NXA8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32

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
SCHEMBL8640502 0.89 LTA4H (0.43) LTA4HPTGS1PTGS2ALDH1A1ELANE
SCHEMBL8639364 0.86 PPARG (0.44) LTA4HALDH1A1ELANEL3MBTL1
SCHEMBL8638408 0.82 LTA4H (0.44) LTA4HPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL8644119 0.76 PPARG (0.47) LTA4HL3MBTL1
SCHEMBL8637371 0.71 LTA4H (0.39) LTA4HPTGS1PTGS2ALDH1A1ELANE
SCHEMBL5684056 0.70 LTA4H (0.48) LTA4HPTGS1PTGS2ALDH1A1TRPM8
SCHEMBL8909853 0.68 LTA4H (0.42) LTA4HPTGS1PTGS2ALDH1A1OPRM1
SCHEMBL8640499 0.68 LTA4H (0.41) LTA4HPTGS1PTGS2ALDH1A1ELANE
SCHEMBL1855435 0.67 LTA4H (0.57) LTA4HALDH1A1SAE1UBA2
SCHEMBL10391016 0.65 ARG1 (0.36) TDP1

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