SCHEMBL4675898

SCHEMBL4675898

O=C(O)Oc1csc(COc2ccc(-c3ccc(Br)cc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
MCL1 Q07820 1/20 0.43
PPARD Q03181 4/20 0.41
PPARA Q07869 2/20 0.41
HSP90AA1 P07900 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
SMPD1 P17405 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL4672078 0.90 PPARD (0.50) NPC1MAPTRAB9AMCL1PPARD
SCHEMBL4674023 0.88 RAB9A (0.55) NPC1MAPTRAB9APPARDPPARA
SCHEMBL4675305 0.88 MAPT (0.58) NPC1MAPTRAB9APPARDPPARA
SCHEMBL4671833 0.88 BCHE (0.48) NPC1MAPTRAB9APPARDPPARA
SCHEMBL3560701 0.82 MAPT (0.54) NPC1MAPTRAB9AMCL1HSP90AA1
SCHEMBL4671246 0.79 PPARD (0.47) MAPTPPARDPPARARXRARXRB
SCHEMBL4671589 0.77 EIF4E (0.42) NPC1RAB9AMAOB
SCHEMBL4675225 0.73 MAPT (0.45) NPC1MAPTRAB9APPARDPPARA
SCHEMBL3568125 0.71 MAPT (0.56) NPC1MAPTRAB9AMCL1PPARD
SCHEMBL3556746 0.69 MAPT (0.72) NPC1MAPTRAB9APPARDHSP90AA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed