SCHEMBL19210491

SCHEMBL19210491

COc1cccc(-c2nc(C(CCOc3ccc(F)c(C(N)=O)c3F)C(=O)O)oc2Br)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
CTSA P10619 1/20 0.37
IKBKB O14920 1/20 0.36
RIPK2 O43353 1/20 0.36
LTB4R Q15722 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PTGFR P43088 4/20 0.35
DHODH Q02127 1/20 0.35
PPARD Q03181 3/20 0.35
FFAR1 O14842 1/20 0.35
PPARA Q07869 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
VDR P11473 1/20 0.34
C3AR1 Q16581 1/20 0.34
PTGER2 P43116 1/20 0.33

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
SCHEMBL19210394 0.90 CTSA (0.33) AKR1C3AKR1C2CTSAIKBKBPPARD
SCHEMBL19210475 0.84 FFAR4 (0.33) CTSADHODH
SCHEMBL19210489 0.83 RXRA (0.39) CTSAIKBKBRIPK2PLGPLAU
SCHEMBL13734870 0.83 IKBKB (0.38) CTSAIKBKBRIPK2PLGPLAU
SCHEMBL19210420 0.82 PTGS2 (0.34) CTSA
SCHEMBL19210450 0.82 FFAR4 (0.35) DHODHPPARDFFAR1PPARA
SCHEMBL19210513 0.82 PTPN1 (0.34) IKBKBPPARDFFAR1PPARA
SCHEMBL19210439 0.81 SCN9A (0.34)
SCHEMBL13734542 0.80 RIPK2 (0.38) CTSAIKBKBRIPK2PLGPLAU
SCHEMBL19210396 0.80 S1PR1 (0.35)

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-2699557-B1 3-(OXAZOL-2-YL-ETHOXY)- AND 3-(THIAZOL-2-YL-ETHOXY)-BENZAMIDE DERIVATIVES AS ANTI-BACTERIAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2017-08-16 EP claimed