SCHEMBL9259044

SCHEMBL9259044

CCCN1CCN(C(=O)C2COc3cc(O)ccc3O2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
TSHR P16473 1/20 0.55
AIMP2 Q13155 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 4/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL9256464 0.76 KMT2A (0.59) KMT2ATSHRAIMP2ALDH1A1SMN1; SMN2
SCHEMBL16601599 0.75 ALDH1A1 (0.54) KMT2ATSHRAIMP2ALDH1A1SMN1; SMN2
SCHEMBL7978591 0.75 KMT2A (0.75) KMT2ATSHRAIMP2ALDH1A1SMN1; SMN2
SCHEMBL9259654 0.74 POLB (0.53) KMT2ATSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL13962145 0.74 ALDH1A1 (0.53) KMT2ATSHRAIMP2ALDH1A1SMN1; SMN2
SCHEMBL9254933 0.73 KMT2A (0.51) KMT2ATSHRAIMP2ALDH1A1SMN1; SMN2
SCHEMBL13341114 0.72 ALDH1A1 (0.51) KMT2ATSHRAIMP2ALDH1A1SMN1; SMN2
SCHEMBL9260735 0.72 POLB (0.76) KMT2AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL9259508 0.72 CYP3A4 (0.47) ALDH1A1SMN1; SMN2HPGDPOLBCHRNB4
SCHEMBL13202892 0.71 ALDH1A1 (0.76) KMT2ATSHRAIMP2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed