SCHEMBL6322900

SCHEMBL6322900

CCCCc1ccc(OCC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 1/20 0.63
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
HTR7 P34969 1/20 0.53
PLA2G4A P47712 1/20 0.51
RAB9A P51151 1/20 0.50
MAOB P27338 1/20 0.50
FAAH O00519 1/20 0.49
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NR4A2 P43354 1/20 0.48

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
SCHEMBL6323761 0.86 L3MBTL1 (0.52) L3MBTL1LMNAPLA2G4ARAB9AMAOB
SCHEMBL6327817 0.83 LMNA (0.73) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL6322708 0.82 THRA (0.57) L3MBTL1LMNAPLA2G4ARAB9AMAOB
SCHEMBL7637309 0.80 MMP1 (0.58) L3MBTL1LMNARAB9ATHRATHRB
SCHEMBL11488970 0.79 MAPT (0.64) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL11847871 0.79 LMNA (0.64) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL6318784 0.79 MAPT (0.64) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL11044041 0.79 RARB (0.57) LMNAHTR7THRATHRB
SCHEMBL7637316 0.78 NPC1 (0.59) L3MBTL1LMNARAB9ATHRATHRB
SCHEMBL10708129 0.78 THRB (0.55) FAAHTHRATHRBMAPTHTT

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed