SCHEMBL8640502

SCHEMBL8640502

CCCC(N)(C(=O)O)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 0.41
PTGS2 P35354 1/20 0.41
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
PPARA Q07869 4/20 0.34
PPARG P37231 3/20 0.34
LNPEP Q9UIQ6 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ELANE P08246 1/20 0.33
MME P08473 1/20 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
SCHEMBL8637374 0.89 LTA4H (0.43) LTA4HPTGS1PTGS2SLC1A3SLC1A2
SCHEMBL8644119 0.87 PPARG (0.47) LTA4HPPARAPPARG
SCHEMBL8641136 0.81 LTA4H (0.43) LTA4HPTGS1PTGS2ALDH1A1TRPM8
SCHEMBL8639364 0.77 PPARG (0.44) LTA4HPPARAPPARGALDH1A1ELANE
SCHEMBL8907830 0.75 ALDH1A1 (0.42) LTA4HPPARAPPARGALDH1A1
SCHEMBL8907598 0.74 CYP1A2 (0.47) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL8637371 0.73 LTA4H (0.39) LTA4HPTGS1PTGS2SLC1A3SLC1A2
SCHEMBL5684056 0.72 LTA4H (0.48) LTA4HPTGS1PTGS2ALDH1A1TRPM8
SCHEMBL8638408 0.70 LTA4H (0.44) LTA4HPTGS1PTGS2ALDH1A1TRPM8
SCHEMBL8909853 0.70 LTA4H (0.42) LTA4HPTGS1PTGS2SLC1A3SLC1A2

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