SCHEMBL1660138

SCHEMBL1660138

Cn1cc(C(=O)OCC2CCCCC2)c(O)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
EGFR P00533 1/20 0.44
CHRNB2 P17787 3/20 0.42
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA4 P43681 3/20 0.42
FLT3 P36888 1/20 0.41
GAA P10253 3/20 0.41
HTR4 Q13639 2/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
JMJD6 Q6NYC1 1/20 0.38
PDE1C Q14123 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL1660046 0.80 MEN1 (0.43) BAZ2BBAZ2AMEN1KMT2AJMJD6
SCHEMBL1659977 0.79 MEN1 (0.44) BAZ2BBAZ2AMEN1KMT2AJMJD6
SCHEMBL388580 0.78 BAZ2B (0.70) BAZ2BBAZ2AGAAMEN1KMT2A
SCHEMBL1660685 0.74 TSHR (0.53) BAZ2BBAZ2AGAAMEN1KMT2A
SCHEMBL4652766 0.74 KMT2A (0.60) EGFRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9002096 0.73 CHRNB4 (0.53) EGFRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1642607 0.72 ALDH1A1 (0.43) MEN1KMT2A
SCHEMBL23188226 0.70 ATM (0.61) CHRNB2CHRNB4CHRNA3CHRNA4HTR4
SCHEMBL14944469 0.70 CHRNB2 (0.50) EGFRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1660016 0.69 TDP1 (0.47) BAZ2BBAZ2AFLT3GAAMEN1

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-2306828-A1 PROLYL HYDROXYLASE INHIBITORS Glaxosmithkline LLC (US) 2011-04-13 EP disclosed
WO-2009158315-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed