SCHEMBL6159945

SCHEMBL6159945

CCCCCCCC/C=C\CCCCCCCCOC(=O)NC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
LPAR3 Q9UBY5 2/20 0.33
LPAR1 Q92633 1/20 0.33
PLA2G10 O15496 1/20 0.32
PPARG P37231 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
EPHX2 P34913 2/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL6159949 1.00 FAAH (0.35) FAAHLPAR3LPAR1PLA2G10PPARG
SCHEMBL6161870 0.96 PPARG (0.33) PPARGALDH1A1HPGDEPHX2
SCHEMBL6159794 0.96 PPARG (0.33) PPARGALDH1A1HPGDEPHX2
SCHEMBL6160633 0.96 PPARG (0.33) PPARGALDH1A1HPGDEPHX2
SCHEMBL6160375 0.92 LPAR3 (0.38) FAAHLPAR3LPAR1EPHX2
SCHEMBL6160389 0.92 LPAR3 (0.38) FAAHLPAR3LPAR1EPHX2
SCHEMBL6161001 0.88 ENPP2 (0.35) ALDH1A1HPGD
SCHEMBL6166944 0.88 HPGD (0.33) LPAR3LPAR1HPGD
SCHEMBL6161220 0.88 HPGD (0.33) LPAR3LPAR1HPGD
SCHEMBL6162169 0.88 HPGD (0.33) LPAR3LPAR1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed