SCHEMBL7470489

SCHEMBL7470489

O=C(O)C(Br)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
EPHX1 P07099 1/20 0.46
FPR2 P25090 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MMP12 P39900 2/20 0.42
MMP13 P45452 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
PDE2A O00408 1/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
DHODH Q02127 1/20 0.40

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
SCHEMBL7473087 0.84 EPHX1 (0.48) EPHX2EPHX1KMT2AALDH1A1AKR1C2
SCHEMBL15646890 0.81 EPHX2 (0.50) EPHX2EPHX1FPR2KMT2AALDH1A1
SCHEMBL378939 0.81 ALDH1A1 (0.50) EPHX2KMT2AALDH1A1MRGPRX4PDE2A
SCHEMBL7472717 0.81 TRPM8 (0.45) EPHX2ALDH1A1
SCHEMBL14763132 0.80 LMNA (0.50) EPHX2EPHX1FPR2KMT2AALDH1A1
SCHEMBL1938686 0.79 POLB (0.52) EPHX2EPHX1ALDH1A1PDE2A
SCHEMBL952299 0.79 EPHX2 (0.47) EPHX2EPHX1KMT2AALDH1A1MMP12
SCHEMBL9680432 0.79 PTGS2 (0.50) EPHX2EPHX1ALDH1A1AKR1C2PDE2A
SCHEMBL9680427 0.79 PTGS2 (0.50) EPHX2EPHX1ALDH1A1AKR1C2PDE2A
SCHEMBL28042145 0.79 EPHX2 (0.47) EPHX2EPHX1KMT2AALDH1A1MMP12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed