SCHEMBL9831414

SCHEMBL9831414

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 1/20 0.55
NOTUM Q6P988 2/20 0.55
L3MBTL1 Q9Y468 4/20 0.54
MAPT P10636 2/20 0.54
SLC16A3 O15427 6/20 0.52
SLC16A1 P53985 5/20 0.52
MCTS1 Q9ULC4 4/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 2/20 0.51
JAK2 O60674 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 3/20 0.48
HPGD P15428 1/20 0.47
STAT3 P40763 1/20 0.47
STAT1 P42224 1/20 0.47

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
SCHEMBL9830636 0.89 POLB (0.54) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL9832622 0.88 POLB (0.56) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL9832101 0.88 POLB (0.53) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL9829861 0.88 L3MBTL1 (0.49) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL9830377 0.87 POLB (0.55) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL9831529 0.82 POLB (0.47) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL9829464 0.81 SLC16A3 (0.39) SLC16A3SLC16A1MCTS1
SCHEMBL8310144 0.79 CA1 (0.38) SMN1; SMN2RAB9APOLBL3MBTL1MAPT
SCHEMBL9832695 0.78 SLC16A3 (0.58) MEN1KMT2APOLBNOTUMMAPT
SCHEMBL9830325 0.76 POLB (0.45) SMN1; SMN2RAB9AMEN1KMT2APOLB

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