SCHEMBL9832101

SCHEMBL9832101

CC(C)(OCCc1cc(-c2ccc(Cl)cc2)no1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
NOTUM Q6P988 2/20 0.52
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
HTT P42858 3/20 0.49
JAK2 O60674 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
SLC16A3 O15427 3/20 0.45
SLC16A1 P53985 2/20 0.45
MCTS1 Q9ULC4 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL9831414 0.88 SMN1; SMN2 (0.56) POLBNOTUMLMNASMN1; SMN2L3MBTL1
SCHEMBL9830636 0.77 POLB (0.54) POLBNOTUMLMNASMN1; SMN2L3MBTL1
SCHEMBL9832622 0.76 POLB (0.56) POLBNOTUMLMNASMN1; SMN2L3MBTL1
SCHEMBL9829861 0.76 L3MBTL1 (0.49) POLBNOTUMLMNASMN1; SMN2L3MBTL1
SCHEMBL9830377 0.75 POLB (0.55) POLBNOTUMLMNASMN1; SMN2L3MBTL1
SCHEMBL12561685 0.75 NOTUM (0.60) POLBNOTUMLMNASMN1; SMN2L3MBTL1
SCHEMBL4874065 0.75 L3MBTL1 (0.48) POLBNOTUMLMNASMN1; SMN2L3MBTL1
SCHEMBL27729677 0.74 NOTUM (0.67) POLBNOTUMLMNASMN1; SMN2L3MBTL1
SCHEMBL14959706 0.73 NOTUM (0.66) POLBNOTUMLMNASMN1; SMN2L3MBTL1
SCHEMBL2178860 0.73 NOTUM (0.76) POLBNOTUMLMNASMN1; SMN2L3MBTL1

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 5 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-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