SCHEMBL9833063

SCHEMBL9833063

COC(=O)C(C)(C)OCc1cc(-c2ccc(Cl)s2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
F10 P00742 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL9829464 0.88 SLC16A3 (0.39) TYRF10NPSR1
SCHEMBL9832622 0.81 POLB (0.56) POLBL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL9830325 0.80 POLB (0.45) POLBMRGPRX4L3MBTL1MAPTALDH1A1
SCHEMBL4068333 0.72 NOTUM (0.57) F10NPSR1POLBKDM4EL3MBTL1
SCHEMBL17232511 0.72 NOTUM (0.38) TYRF10NPSR1POLBKDM4E
SCHEMBL9831414 0.69 SMN1; SMN2 (0.56) POLBL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL9830377 0.69 POLB (0.55) POLBL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL3369897 0.69 NOTUM (0.38) TYRF10NPSR1POLBKDM4E
SCHEMBL9830636 0.68 POLB (0.54) POLBL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL17229342 0.68 SMN1; SMN2 (0.40) F10KDM4EMAPTALDH1A1SMN1; SMN2

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-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