SCHEMBL4657263

SCHEMBL4657263

Cn1cccc1C(C)(PO)c1cccn1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
INMT O95050 1/20 0.30

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
SCHEMBL23181015 0.76 TSHR (0.37) L3MBTL1TSHRTRIM24TRIM33NPC1
SCHEMBL419054 0.75 TSHR (0.39) L3MBTL1TSHRTRIM24TRIM33NPC1
SCHEMBL10103778 0.75 TSHR (0.39) L3MBTL1TSHRTRIM24TRIM33NPC1
Water SCHEMBL28191006 0.73 TSHR (0.38) L3MBTL1TSHRTRIM24TRIM33NPC1
SCHEMBL11453419 0.70 TSHR (0.35) L3MBTL1TSHRTRIM24TRIM33INMT
SCHEMBL6941198 0.69 TSHR (0.38) L3MBTL1TSHRTRIM24TRIM33RAB9A
SCHEMBL13868021 0.68 L3MBTL1 (0.36) L3MBTL1TSHRTRIM24TRIM33NPC1
SCHEMBL23051029 0.68 TSHR (0.34) L3MBTL1TSHRTRIM24TRIM33NPC1
SCHEMBL13813446 0.68 TSHR (0.34) L3MBTL1TSHRTRIM24TRIM33NPC1
SCHEMBL31708154 0.68 L3MBTL1 (0.34) L3MBTL1TSHRTRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186609-B1 Diphosphines SALTIGO GMBH (DE) 2008-12-03 EP disclosed
EP-1186609-A2 Diphosphines BAYER AG (DE) 2002-03-13 EP disclosed