SCHEMBL9691996

SCHEMBL9691996

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 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
SCHEMBL9825444 1.00 POLB (0.44) POLBALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL9825433 1.00 POLB (0.44) POLBALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL9692005 1.00 POLB (0.44) POLBALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL9825617 0.87 POLB (0.43) POLBALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL9825953 0.87 POLB (0.43) POLBALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL9692374 0.84 HTT (0.48) ALDH1A1HTTHTR1A
SCHEMBL9692391 0.84 HTT (0.48) ALDH1A1HTTHTR1A
SCHEMBL9692643 0.84 HTT (0.46) HTTHTR1A
SCHEMBL9692918 0.84 HTT (0.48) ALDH1A1HTTHTR1A
SCHEMBL9692630 0.84 HTT (0.46) HTTHTR1A

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
EP-0252005-B1 HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-10 EP claimed
US-5112855-A Nootropic Agents CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed