SCHEMBL7790765

SCHEMBL7790765

C=C(CC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.37
MAOB P27338 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
XBP1 P17861 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.34
USP2 O75604 2/20 0.34
TSHR P16473 1/20 0.34
S1PR4 O95977 1/20 0.34
ALDH1A1 P00352 1/20 0.34
S1PR1 P21453 1/20 0.34
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7783038 0.90 MAOA (0.39) MAOAMAOBLMNANPSR1XBP1
SCHEMBL7791505 0.82 MAOA (0.41) MAOAMAOBLMNANPSR1MAPT
SCHEMBL7792771 0.81 MAOA (0.40) MAOAMAOBLMNANPSR1MAPT
SCHEMBL5008736 0.79 MAOA (0.39) MAOAMAOBNPSR1TSHRPOLB
SCHEMBL14123664 0.79 MAOA (0.39) MAOAMAOBNPSR1TSHRPOLB
SCHEMBL5012369 0.79 MAOA (0.39) MAOAMAOBNPSR1TSHRPOLB
SCHEMBL7787989 0.79 MAOA (0.41) MAOAMAOBLMNANPSR1XBP1
SCHEMBL7792764 0.74 ESR1 (0.47) MAOAMAOBHPGDSMN1; SMN2MAPT
SCHEMBL7788772 0.72 MAOA (0.39) MAOAMAOBLMNANPSR1XBP1
SCHEMBL1998953 0.70 MAPK1 (0.56) L3MBTL1LMNANPSR1HPGDXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0890636-B1 Culture vessel MENICON CO LTD (JP) 2001-10-31 EP disclosed
US-6018001-A ACID TREATMENT OF A CONTACT LENS WHICH IS A COPOLYMER OF ASUGAR KETAL-CONTAINING (METH)ACRYLATE AND A SUGAR GLYCEROL KETAL-CONTAINING (METH)ACRYLATE AND A CO-MONOMER CONTAINING SILICON AND FLUORINE-MONOMER; OXYGEN PERMEABILITY MENICON CO., LTD. (JP) 2000-01-25 US disclosed
EP-0892297-A1 PROCESS FOR PRODUCING CONTACT LENS WITH HYDROPHILIC SURFACE AND CONTACT LENS OBTAINED THEREBY MENICON CO., LTD. (JP) 1999-01-20 EP disclosed
EP-0890636-A1 Culture vessel Menicon Co., Ltd. (JP) 1999-01-13 EP disclosed