SCHEMBL9829861

SCHEMBL9829861

CC(C)(OCc1cc(-c2ccc(Cl)c(Cl)c2)no1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC16A3 O15427 6/20 0.42
SLC16A1 P53985 5/20 0.42
MCTS1 Q9ULC4 5/20 0.42
NOTUM Q6P988 2/20 0.41
NPC1 O15118 2/20 0.40
HPGD P15428 1/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
LMNA P02545 1/20 0.40
PPARA Q07869 1/20 0.39

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) L3MBTL1MAPTPOLBTDP1RAB9A
SCHEMBL9831414 0.88 SMN1; SMN2 (0.56) L3MBTL1MAPTPOLBRAB9ASMN1; SMN2
SCHEMBL9829464 0.79 SLC16A3 (0.39) SLC16A3SLC16A1MCTS1
SCHEMBL9830636 0.77 POLB (0.54) L3MBTL1MAPTPOLBTDP1RAB9A
SCHEMBL8310144 0.77 CA1 (0.38) L3MBTL1MAPTPOLBTDP1RAB9A
SCHEMBL3221069 0.77 L3MBTL1 (0.48) L3MBTL1MAPTPOLBTDP1RAB9A
SCHEMBL9832622 0.76 POLB (0.56) L3MBTL1MAPTPOLBTDP1RAB9A
SCHEMBL9832101 0.76 POLB (0.53) L3MBTL1MAPTPOLBTDP1RAB9A
SCHEMBL9830377 0.75 POLB (0.55) L3MBTL1MAPTPOLBTDP1RAB9A
SCHEMBL3224943 0.75 NOTUM (0.50) L3MBTL1MAPTPOLBTDP1RAB9A

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