SCHEMBL9832622

SCHEMBL9832622

COC(=O)C(C)(C)OCc1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 6/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.53
NOTUM Q6P988 2/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
HTT P42858 4/20 0.52
ALDH1A1 P00352 2/20 0.52
JAK2 O60674 1/20 0.52
RAB9A P51151 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 5/20 0.44
HPGD P15428 1/20 0.43
STAT3 P40763 1/20 0.43

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
SCHEMBL9830325 0.88 POLB (0.45) POLBL3MBTL1MAPTLMNANOTUM
SCHEMBL9831414 0.88 SMN1; SMN2 (0.56) POLBL3MBTL1MAPTLMNANOTUM
SCHEMBL9830377 0.87 POLB (0.55) POLBL3MBTL1MAPTLMNANOTUM
SCHEMBL9830636 0.87 POLB (0.54) POLBL3MBTL1MAPTLMNANOTUM
SCHEMBL9831529 0.82 POLB (0.47) POLBL3MBTL1MAPTLMNANOTUM
SCHEMBL9833063 0.81 TYR (0.40) POLBL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL9832101 0.76 POLB (0.53) POLBL3MBTL1MAPTLMNANOTUM
SCHEMBL9829861 0.76 L3MBTL1 (0.49) POLBL3MBTL1MAPTLMNANOTUM
SCHEMBL3434027 0.73 L3MBTL1 (0.60) POLBL3MBTL1MAPTLMNANOTUM
SCHEMBL13220766 0.72 NOTUM (0.64) POLBL3MBTL1MAPTLMNANOTUM

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