SCHEMBL7672587

SCHEMBL7672587

[CH2]c1cccc(C#N)c1OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
AR P10275 4/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL6736896 0.85 POLB (0.47) GAAPOLBIMPDH2IMPDH1TSHR
SCHEMBL16955441 0.80 POLB (0.41) GAAPOLBIMPDH2IMPDH1TSHR
SCHEMBL16952722 0.79 GAA (0.35) GAATSHRALDH1A1KDM4EAR
SCHEMBL10070159 0.78 TSHR (0.61) GAAPOLBIMPDH2IMPDH1TSHR
SCHEMBL30934831 0.78 POLB (0.50) GAAPOLBIMPDH2IMPDH1ALDH1A1
SCHEMBL338999 0.78 POLB (0.50) GAAPOLBIMPDH2IMPDH1ALDH1A1
SCHEMBL18125262 0.76 GAA (0.41) GAAPOLBIMPDH2IMPDH1TSHR
SCHEMBL679158 0.76 AR (0.47) GAAPOLBIMPDH2IMPDH1TSHR
SCHEMBL16599724 0.76 MAPT (0.44) GAAPOLBIMPDH2IMPDH1TSHR
SCHEMBL15689602 0.76 ALDH1A1 (0.43) GAAPOLBIMPDH2IMPDH1TSHR

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed