SCHEMBL8639512

SCHEMBL8639512

C#CC(N)C(CC)(Oc1ccc(Cc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
LTA4H P09960 13/20 0.40
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
MMP8 P22894 1/20 0.37
PPARA Q07869 4/20 0.36
PPARG P37231 3/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL11068228 0.74 OPRK1 (0.78) OPRK1LTA4HALDH1A1RECQLMMP8
SCHEMBL8637712 0.72 PPARG (0.40) OPRK1LTA4HPPARAPPARG
SCHEMBL27556624 0.71 PIN1 (0.43) OPRK1ALDH1A1RECQLMMP8PPARA
SCHEMBL11066953 0.70 OPRK1 (0.63) OPRK1LTA4HALDH1A1RECQLMMP8
SCHEMBL11459021 0.69 OPRK1 (0.54) OPRK1LTA4HPPARAPPARG
SCHEMBL5205608 0.69 LMNA (0.51) ALDH1A1PPARG
SCHEMBL20240288 0.66 SCN9A (0.51) LTA4HMMP8PPARAPPARG
SCHEMBL7491986 0.66 SLC7A5 (0.54) LTA4HALDH1A1MMP8PPARAPPARG
SCHEMBL28851706 0.65 MAPT (0.46) ALDH1A1PPARAPPARGHTR2A
Hydrochloric Acid SCHEMBL7491967 0.65 SLC7A5 (0.53) LTA4HMMP8PPARAPPARG

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