SCHEMBL6993450

SCHEMBL6993450

CCOS(=O)(=O)c1ccc(C)c(-c2nc(C3=CCCCC3)oc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.38
FAAH O00519 1/20 0.35
ELANE P08246 1/20 0.34
PTGS2 P35354 1/20 0.33
PSMB5 P28074 5/20 0.33
PSMB1 P20618 1/20 0.31
NPC1 O15118 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
SCHEMBL6703700 0.78 TARBP2 (0.46) FAAHNPC1RAB9A
SCHEMBL6986435 0.78 TARBP2 (0.46) NPC1RAB9A
SCHEMBL27607598 0.78 MAPT (0.36) NPC1RAB9A
SCHEMBL6994309 0.77 MAPT (0.41) RAB9A
SCHEMBL6989034 0.74 PIK3CB (0.33)
SCHEMBL27579769 0.74 PPARG (0.36) PTGS2NPC1RAB9A
SCHEMBL6990599 0.72 FLT1 (0.38) NPC1RAB9A
SCHEMBL27597552 0.71 UTRN (0.37) ELANERAB9A
SCHEMBL5116367 0.70 ALDH1A1 (0.41) ELANE
SCHEMBL28975568 0.65 NPC1 (0.36) PTGS2NPC1RAB9A

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
EP-1313716-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016331-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO disclosed