SCHEMBL7792771

SCHEMBL7792771

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
CES1 P23141 1/20 0.35
ESR1 P03372 1/20 0.34
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CA2 P00918 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL5012369 0.98 MAOA (0.39) MAOAMAOBCES1ESR1POLB
SCHEMBL14123664 0.98 MAOA (0.39) MAOAMAOBCES1ESR1POLB
SCHEMBL5008736 0.98 MAOA (0.39) MAOAMAOBCES1ESR1POLB
SCHEMBL7791505 0.94 MAOA (0.41) MAOAMAOBCES1ESR1POLB
SCHEMBL7790765 0.81 MAOA (0.37) MAOAMAOBCES1ESR1POLB
SCHEMBL7792764 0.78 ESR1 (0.47) MAOAMAOBCES1ESR1CYP3A4
SCHEMBL8396822 0.77 MAOA (0.42) MAOAMAOBCES1ESR1POLB
SCHEMBL7783038 0.76 MAOA (0.39) MAOAMAOBCES1ESR1NPSR1
SCHEMBL8624256 0.76 MAOA (0.33) MAOAMAOB
SCHEMBL20690145 0.75 MAOA (0.42) MAOAMAOBCES1POLBNPSR1

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