SCHEMBL7710672

SCHEMBL7710672

CC(c1ccc(Oc2nc(Cl)cc3ccccc23)cc1)C(Nc1c(C(C)(C)C)c(=O)c1=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.34
ALOX5 P09917 3/20 0.33
PTGES O14684 2/20 0.33
APP P05067 2/20 0.32
FFAR1 O14842 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 1/20 0.31
KDR P35968 1/20 0.31
CASP1 P29466 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PLK1 P53350 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL7710699 0.83 ITGB1 (0.45) APP
SCHEMBL7714197 0.82 ITGB1 (0.36) AKR1B1ALOX5PTGESFFAR1MAPT
SCHEMBL7714160 0.82 AKR1B1 (0.32) AKR1B1ALOX5PTGESFFAR1RAB9A
SCHEMBL7710675 0.79 ELANE (0.40) APPMEN1KMT2AMAPTL3MBTL1
SCHEMBL7710671 0.79 ELANE (0.40) APPMEN1KMT2AMAPTL3MBTL1
SCHEMBL7710677 0.77 KMT2A (0.34) FFAR1KMT2AMAPTPPARGKDM4E
SCHEMBL7718424 0.71 ACACB (0.31) AKR1B1FFAR1
SCHEMBL7718449 0.68 ITGB1 (0.64) PPARG
SCHEMBL10975511 0.68 PPARA (0.55) PPARG
SCHEMBL7718445 0.67 ACE (0.53) PPARG

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
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed