SCHEMBL9825617

SCHEMBL9825617

COC(=O)O[C@H]1CN(CCC2COc3ccccc3O2)CC[C@H]1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
HTR1A P08908 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MTNR1A P48039 1/20 0.41

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
SCHEMBL9825953 1.00 POLB (0.43) POLBALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL9691996 0.87 POLB (0.44) POLBALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL9825433 0.87 POLB (0.44) POLBALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL9692005 0.87 POLB (0.44) POLBALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL9825444 0.87 POLB (0.44) POLBALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL9825765 0.85 MTNR1A (0.45) HTTHTR1AMTNR1A
SCHEMBL9825726 0.85 MTNR1A (0.45) HTTHTR1AMTNR1A
SCHEMBL9826865 0.85 MTNR1A (0.45) HTTHTR1AMTNR1A
Hydrochloric Acid SCHEMBL9825354 0.84 MTNR1A (0.44) ALDH1A1HTTHTR1AMTNR1A
Fumaric Acid SCHEMBL9825239 0.82 HTT (0.42) HTTHTR1AMTNR1A

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-0252005-B1 HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-10 EP claimed
EP-0252005-A1 Hydrogenated 1-benzooxacycloalkyl-pyridine carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-07 EP claimed