SCHEMBL8639342

SCHEMBL8639342

CCCC(C)(N)C(=O)OOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
LTA4H P09960 7/20 0.41
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 1/20 0.39
OPRK1 P41145 1/20 0.39
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
LMNA P02545 1/20 0.39
SRD5A2 P31213 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL8641923 0.94 ELANE (0.42) ELANELTA4HS1PR1S1PR3S1PR4
SCHEMBL8639942 0.92 S1PR1 (0.43) ELANELTA4HS1PR1S1PR3S1PR4
SCHEMBL8640088 0.89 ELANE (0.45) ELANELTA4HS1PR1S1PR3OPRK1
SCHEMBL8640706 0.89 ALDH1A1 (0.40) ELANES1PR1S1PR3S1PR4S1PR5
SCHEMBL8640101 0.80 PPARA (0.47) LTA4HS1PR1S1PR3PPARGPPARA
SCHEMBL27859835 0.75 ALDH1A1 (0.50) LMNACA12CA1CA2CA9
SCHEMBL27859704 0.75 ALDH1A1 (0.50) LMNACA12CA1CA2CA9
SCHEMBL8639571 0.72 LTA4H (0.44) LTA4HLMNA
SCHEMBL20853850 0.71 ELANE (0.54) ELANELTA4HS1PR1S1PR3S1PR4
SCHEMBL20853984 0.71 ELANE (0.54) ELANELTA4HS1PR1S1PR3S1PR4

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