SCHEMBL19210393

SCHEMBL19210393

COc1ccc(-c2nc(C(CCC(=O)O)Oc3ccc(F)c(C(N)=O)c3F)oc2Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
GAA P10253 3/20 0.35
CTSA P10619 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.33
PTGS2 P35354 2/20 0.33
ADAMTS4 O75173 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PPARD Q03181 2/20 0.33
ALDH1A1 P00352 2/20 0.32
IKBKB O14920 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL19210474 0.91 RXRA (0.34) CTSAPTGDR2FFAR4
SCHEMBL19210489 0.90 RXRA (0.39) CTSALMNAPPARDALDH1A1IKBKB
SCHEMBL19210449 0.90 FFAR4 (0.36) CTSAFFAR4PPARD
SCHEMBL13731829 0.90 IKBKB (0.34) MAPTGAACTSAPTGDR2LMNA
SCHEMBL19210419 0.89 CTSA (0.34) CTSAPTGDR2PTGS2PTGS1
SCHEMBL13734658 0.88 PTPN1 (0.34) PTGDR2FFAR4PPARDIKBKB
SCHEMBL19210438 0.88 IMPDH2 (0.33) CTSAPTGDR2FFAR4
SCHEMBL13731962 0.87 IKBKB (0.32) MAPTGAACTSALMNAALDH1A1
SCHEMBL19210395 0.86 S1PR1 (0.36) LMNA
SCHEMBL13734080 0.85 IKBKB (0.36) MAPTGAACTSAPTGDR2PDE3A

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