SCHEMBL8560809

SCHEMBL8560809

COC(=O)c1ccc(Oc2ccccc2C#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
GAA P10253 1/20 0.65
MAPK14 Q16539 4/20 0.61
CYP3A4 P08684 1/20 0.56
EZH2 Q15910 1/20 0.56
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
LPAR1 Q92633 2/20 0.54
LPAR5 Q9H1C0 2/20 0.54
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL27860600 0.87 POLB (0.49) POLBGAAMAPK14CYP3A4EZH2
SCHEMBL18610115 0.86 POLB (0.54) POLBGAAMAPK14CYP3A4EZH2
SCHEMBL16507214 0.85 LPAR1 (0.80) MAPK14LPAR1LPAR5
SCHEMBL18609418 0.85 MAPK14 (0.57) POLBGAAMAPK14CYP3A4EZH2
SCHEMBL11411879 0.84 CA1 (0.62) POLBGAARAB9ANPC1LPAR1
SCHEMBL25311656 0.84 CA1 (0.50) POLBGAAMAPK14RAB9ANPC1
SCHEMBL14967208 0.83 LPAR1 (0.72) POLBGAAMAPK14CYP3A4EZH2
SCHEMBL6629977 0.82 PARP10 (0.60) POLBGAAMAPK14CYP3A4EZH2
SCHEMBL9242685 0.81 RAB9A (0.65) GAARAB9ANPC1LPAR1LPAR5
SCHEMBL680151 0.80 MAPK14 (0.61) POLBGAAMAPK14CYP3A4EZH2

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-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed