SCHEMBL12132513

SCHEMBL12132513

CN(C)c1ccc(C(=O)OCCOC(=O)CCN2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ CYP2D6 P10635 2/20 0.53
▸ KCNH2 Q12809 2/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ THRB P10828 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HRH2 P25021 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ ADRA1A P35348 1/20 0.47

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
SCHEMBL12132510 0.90 HRH3 (0.49) KMT2AMEN1CYP2D6KCNH2HRH3
SCHEMBL12132491 0.89 KMT2A (0.70) KMT2AMEN1CYP2D6KCNH2HRH3
SCHEMBL12132512 0.88 ATM (0.57) KMT2AALDH1A1THRBLMNAMAPT
SCHEMBL13210544 0.88 ALDH1A1 (0.46) KMT2AMEN1CYP2D6KCNH2HRH3
SCHEMBL12132530 0.82 KMT2A (0.58) KMT2AMEN1CYP2D6HRH3ALDH1A1
SCHEMBL14206873 0.79 THRB (0.43) CYP2D6KCNH2HRH3ALDH1A1THRB
SCHEMBL1506126 0.78 ALDH1A1 (0.65) ALDH1A1LMNASLC6A2MAPTTSHR
SCHEMBL12132494 0.74 PHLPP2 (0.50) KCNH2HRH3ALDH1A1LMNACYP1A2
SCHEMBL12380026 0.74 ALDH1A1 (0.60) ALDH1A1LMNASLC6A2MAPTTSHR
SCHEMBL12380037 0.74 ALDH1A1 (0.60) ALDH1A1LMNASLC6A2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063115-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2011-11-22 — — US disclosed
US-8063115-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2011-11-22 — — US disclosed
US-20090326091-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2009-12-31 — — US disclosed
US-20090326091-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2009-12-31 — — US disclosed
EP-1927632-A1 Novel radiation curable compositions Agfa Graphics N.V. (BE) 2008-06-04 — — EP disclosed
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