SCHEMBL9260735

SCHEMBL9260735

O=C(C1COc2ccc(O)cc2O1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 2/20 0.55
MAPT P10636 4/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46

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
SCHEMBL9254709 0.84 POLB (0.53) POLBSMN1; SMN2GAAMAPK1MAPT
SCHEMBL9259654 0.80 POLB (0.53) POLBSMN1; SMN2GAAMAPK1MAPT
SCHEMBL9257650 0.76 ALDH1A1 (0.50) POLBSMN1; SMN2GAAMAPTLMNA
SCHEMBL14683495 0.74 POLB (0.78) POLBSMN1; SMN2GAAMAPK1MAPT
SCHEMBL9259044 0.72 KMT2A (0.61) POLBSMN1; SMN2GAAMAPK1LMNA
SCHEMBL2548219 0.72 MAPK1 (0.71) POLBSMN1; SMN2GAAMAPK1MAPT
SCHEMBL9256464 0.71 KMT2A (0.59) POLBSMN1; SMN2GAAALDH1A1HPGD
SCHEMBL21198198 0.71 CYP3A4 (0.47) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL9255239 0.71 DRD2 (0.49) POLB
SCHEMBL9261702 0.70 POLB (0.70) POLBSMN1; SMN2GAAMAPK1MAPT

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