SCHEMBL8566836

SCHEMBL8566836

COc1cccc(Oc2c(Cl)cccc2C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
PGR P06401 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPBWR1 P48145 1/20 0.41
GLA P06280 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
FNTA P49354 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
SCHEMBL4179186 0.82 RAB9A (0.40) ARMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL27659861 0.80 L3MBTL1 (0.44) MAPTGAAPOLBKDM4EALDH1A1
SCHEMBL4174837 0.80 AR (0.58) ARGAAPOLBKDM4EALDH1A1
SCHEMBL5497091 0.78 AR (0.58) ARGAAPOLBPGRSMN1; SMN2
SCHEMBL8561327 0.76 POLB (0.73) ARGAAPOLBKDM4EALDH1A1
SCHEMBL14861184 0.75 SLC22A12 (0.43) ARMAPTKDM4EALDH1A1HPGD
SCHEMBL27918629 0.74 CYP19A1 (0.50) ARALDH1A1HPGDPGRPDE4B
SCHEMBL4168823 0.74 AR (0.46) ARMAPTGAAPOLBKDM4E
SCHEMBL22867963 0.73 AR (0.66) ARGAAPOLBKDM4EALDH1A1
SCHEMBL4168098 0.72 AR (0.65) ARGAAPOLBPGR

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