SCHEMBL6160633

SCHEMBL6160633

CCCCCCCCCCCCCCCCCCOC(=O)NC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
AGTR2 P50052 2/20 0.31
AGTR1 P30556 1/20 0.31
P2RX3 P56373 3/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ENPP2 Q13822 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 1/20 0.31
SPHK1 Q9NYA1 2/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL6159794 1.00 PPARG (0.33) PPARGAGTR2AGTR1P2RX3HPGD
SCHEMBL6161870 1.00 PPARG (0.33) PPARGAGTR2AGTR1P2RX3HPGD
SCHEMBL6159949 0.96 FAAH (0.35) PPARGHPGDALDH1A1EPHX2
SCHEMBL6159945 0.96 FAAH (0.35) PPARGHPGDALDH1A1EPHX2
SCHEMBL6161001 0.92 ENPP2 (0.35) P2RX3HPGDALDH1A1ENPP2L3MBTL1
SCHEMBL6162355 0.92 HPGD (0.33) HPGD
SCHEMBL6168625 0.92 HPGD (0.33) HPGD
SCHEMBL6166944 0.92 HPGD (0.33) HPGD
SCHEMBL6161220 0.92 HPGD (0.33) HPGD
SCHEMBL6162169 0.92 HPGD (0.33) HPGD

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