SCHEMBL7723253

SCHEMBL7723253

CCCCCCC(=O)Cc1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
IAPP P10997 1/20 0.42
RIPK1 Q13546 1/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 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
SCHEMBL14402655 0.87 RIPK1 (0.46) KMT2AMEN1ALDH1A1IAPPRIPK1
SCHEMBL1538027 0.81 VNN1 (0.48) KMT2AMEN1ALDH1A1HTTIAPP
SCHEMBL8388641 0.80 RIPK1 (0.48) KMT2AMEN1IAPPRIPK1CES2
SCHEMBL6666485 0.80 CES2 (0.48) KMT2AMEN1ALDH1A1RIPK1CES2
SCHEMBL4451515 0.76 P2RX7 (0.50) KMT2AMAPTMEN1CES2CES1
SCHEMBL4463081 0.76 P2RX7 (0.50) KMT2AMAPTMEN1CES2CES1
SCHEMBL8746425 0.75 LIPG (0.50) KMT2AMAPTMEN1HTTBID
SCHEMBL7533430 0.75 LIPG (0.50) KMT2AMAPTMEN1HTTBID
SCHEMBL4819280 0.75 LIPG (0.50) KMT2AMAPTMEN1HTTBID
SCHEMBL4286994 0.75 LIPG (0.50) KMT2AMAPTMEN1HTTBID

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-6391397-B1 ELECTRO-OPTICAL LIQUID CRYSTAL DEVICE; FLUORINATED PHENYL COMPOUNDS;4?-DECYLOXY-2,3-DIFLUORO-4-(2,2-DIFLUOROOCTYL)-1,1': 4',1?-TERPHENYL SHARP KABUSHIKI KAISHA (JP) 2002-05-21 US disclosed
EP-1044952-A2 High transverse dipole moment aryl compounds SHARP KABUSHIKI KAISHA (JP) 2000-10-18 EP disclosed