SCHEMBL19210489

SCHEMBL19210489

COc1cccc(-c2nc(C(CCC(=O)O)Oc3ccc(F)c(C(N)=O)c3F)oc2Br)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CTSA P10619 4/20 0.38
IKBKB O14920 1/20 0.36
RIPK2 O43353 1/20 0.36
PPARD Q03181 4/20 0.34
FFAR1 O14842 3/20 0.34
PPARA Q07869 2/20 0.34
PDE4B Q07343 2/20 0.34
VDR P11473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 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
SCHEMBL13734870 0.90 IKBKB (0.38) RXRARXRBCTSAIKBKBRIPK2
SCHEMBL19210393 0.90 MAPT (0.35) CTSAIKBKBPPARDKDM4EALDH1A1
SCHEMBL13734542 0.88 RIPK2 (0.38) RXRARXRBCTSAIKBKBRIPK2
SCHEMBL19210474 0.84 RXRA (0.34) RXRARXRBCTSAFFAR1
SCHEMBL19210491 0.83 AKR1C3 (0.38) RXRARXRBCTSAIKBKBRIPK2
SCHEMBL19210419 0.83 CTSA (0.34) CTSA
SCHEMBL19210449 0.83 FFAR4 (0.36) CTSAPPARDFFAR1PPARA
SCHEMBL13734658 0.82 PTPN1 (0.34) RXRARXRBIKBKBPPARDFFAR1
SCHEMBL19210438 0.82 IMPDH2 (0.33) CTSA
SCHEMBL19210395 0.81 S1PR1 (0.36) FFAR1LMNA

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