SCHEMBL8625967

SCHEMBL8625967

C=C(COCC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.36
MAOB P27338 5/20 0.36
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
CES1 P23141 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
MGMT P16455 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 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
SCHEMBL8621299 0.84 ALDH1A1 (0.42) MAOAMAOBMAPK1HIF1ACES1
SCHEMBL8624256 0.80 MAOA (0.33) MAOAMAOBSMN1; SMN2
SCHEMBL5030638 0.80 MAOA (0.33) MAOAMAOBMAPK1HIF1ACES1
SCHEMBL7791505 0.78 MAOA (0.41) MAOAMAOBMAPK1CES1ALDH1A1
SCHEMBL3752087 0.76 MAOA (0.50) MAOAMAOBMAPK1CES1CDK1
SCHEMBL8623551 0.73 MAOA (0.38) MAOAMAOBCES1CDK1CCNB1
SCHEMBL194628 0.73 ALDH1A1 (0.44) MAOAMAOBALDH1A1LMNAPOLB
SCHEMBL7792771 0.73 MAOA (0.40) MAOAMAOBMAPK1CES1ALDH1A1
SCHEMBL27591269 0.72 MAOA (0.42) MAOAMAOBMAPK1HIF1ACES1
SCHEMBL5012369 0.71 MAOA (0.39) MAOAMAOBCES1NPSR1POLB

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
US-5786434-A A CURABLE COPOLYMER COMPRISING A DIALKYLACRYLAMIDE OR METHACRYLAMIDE, A VINYLLACTAM, A BIS(SILICON-CONTAINING ALKYL)FUMARATE MONOMERS; RADIATION TRANSPARENT, HIGH OXYGEN PERMEABILITY MENICON CO., LTD. (JP) 1998-07-28 US disclosed