SCHEMBL7787989

SCHEMBL7787989

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.41
MAOB P27338 6/20 0.41
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CES1 P23141 1/20 0.36
ESR1 P03372 1/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL7788772 0.85 MAOA (0.39) MAOAMAOBNPSR1ALDH1A1CES1
SCHEMBL7783038 0.81 MAOA (0.39) MAOAMAOBNPSR1ALDH1A1CES1
SCHEMBL7792764 0.79 ESR1 (0.47) MAOAMAOBCES1ESR1MAPT
SCHEMBL7790765 0.79 MAOA (0.37) MAOAMAOBNPSR1ALDH1A1CES1
SCHEMBL14169353 0.77 KMT2A (0.48) NPSR1ALDH1A1CES1LMNAMAPT
SCHEMBL21602931 0.76 POLB (0.38) MAOAMAOBNPSR1ALDH1A1MAPT
SCHEMBL23287920 0.74 MAOA (0.42) MAOAMAOBALDH1A1CES1ESR1
SCHEMBL8396822 0.74 MAOA (0.42) MAOAMAOBNPSR1ALDH1A1CES1
SCHEMBL7791505 0.73 MAOA (0.41) MAOAMAOBNPSR1ALDH1A1CES1
SCHEMBL7792771 0.72 MAOA (0.40) MAOAMAOBNPSR1ALDH1A1CES1

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