SCHEMBL9831529

SCHEMBL9831529

CC(C)(OCc1cc(-c2ccc(Cl)cc2)no1)C(=O)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
NOTUM Q6P988 2/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 4/20 0.45
JAK2 O60674 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL9832622 0.82 POLB (0.56) POLBL3MBTL1MAPTNOTUMRAB9A
SCHEMBL9831414 0.82 SMN1; SMN2 (0.56) POLBL3MBTL1MAPTNOTUMRAB9A
SCHEMBL9830636 0.81 POLB (0.54) POLBL3MBTL1MAPTNOTUMRAB9A
SCHEMBL9830377 0.79 POLB (0.55) POLBL3MBTL1MAPTNOTUMRAB9A
SCHEMBL9830325 0.72 POLB (0.45) POLBL3MBTL1MAPTNOTUMRAB9A
SCHEMBL9829861 0.71 L3MBTL1 (0.49) POLBL3MBTL1MAPTNOTUMRAB9A
SCHEMBL9832101 0.71 POLB (0.53) POLBL3MBTL1MAPTNOTUMRAB9A
SCHEMBL19263269 0.69 NOTUM (0.52) POLBL3MBTL1MAPTNOTUMRAB9A
SCHEMBL19263284 0.69 POLB (0.53) POLBL3MBTL1MAPTNOTUMRAB9A
SCHEMBL3434027 0.68 L3MBTL1 (0.60) POLBL3MBTL1MAPTNOTUMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220573-B1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP claimed
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US claimed
EP-0220573-A1 Heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1987-05-06 EP claimed
EP-0220573-B1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US disclosed
EP-0220573-A1 Heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1987-05-06 EP disclosed