SCHEMBL8570191

SCHEMBL8570191

CC(=O)N1CCc2cc(CC(C)O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.58
LMNA P02545 5/20 0.57
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
POLB P06746 1/20 0.52
TRIM24 O15164 1/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL27955691 0.88 NOTUM (0.57) NOTUMLMNACYP11B1CYP11B2POLB
SCHEMBL8540660 0.88 NOTUM (0.57) NOTUMLMNACYP11B1CYP11B2POLB
SCHEMBL14090157 0.82 NOTUM (0.65) NOTUMLMNAPOLBMAPTKDM4E
SCHEMBL29150848 0.81 NOTUM (0.63) NOTUMLMNAPOLBMAPTKDM4E
SCHEMBL9088878 0.81 NOTUM (0.66) NOTUMLMNAPOLBMAPTKDM4E
SCHEMBL29387665 0.80 TDP1 (0.51) NOTUMLMNACYP11B1CYP11B2POLB
SCHEMBL13020232 0.80 NOTUM (0.61) NOTUMLMNAPOLBTRIM24MAPT
SCHEMBL10716438 0.80 NOTUM (0.61) NOTUMLMNACYP11B1CYP11B2POLB
SCHEMBL8569157 0.80 NOTUM (0.61) NOTUMLMNAPOLBMAPTKDM4E
SCHEMBL3783835 0.79 NOTUM (0.60) NOTUMLMNAPOLBMAPTKDM4E

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-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP disclosed