SCHEMBL9800772

SCHEMBL9800772

FC(F)(F)/C=C/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.54
MAOB P27338 4/20 0.50
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
CYP19A1 P11511 2/20 0.42
MAOA P21397 2/20 0.42
TRPA1 O75762 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL115403 1.00 NFE2L2 (0.54) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL2875295 1.00 NFE2L2 (0.54) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL7873732 0.97 NFE2L2 (0.52) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL4561527 0.84 NFE2L2 (0.41) NFE2L2MAOBCYP2C19ALDH1A1MAPT
SCHEMBL16439910 0.80 MAOB (0.46) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL16439911 0.80 MAOB (0.46) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL3722626 0.80 CYP2C19 (0.47) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL19787555 0.80 NFE2L2 (0.50) NFE2L2MAOBALDH1A1LMNAMAPK1
SCHEMBL20654553 0.78 ALDH1A1 (0.44) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL3854993 0.77 ALDH1A1 (0.48) NFE2L2MAOBCYP2C19ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57054124-A None JP disclosed
WO-2023205455-A2 STORAGE AND DELIVERY OF GASEOUS CHEMICAL REACTANTS IN CHEMICAL PROCESSES USING METAL-ORGANIC FRAMEWORKS CORNELL UNIVERSITY (US) 2023-10-26 WO disclosed
EP-0245679-B1 DEHALOGENATION PROCESS ETHYL CORPORATION (US) 1991-03-13 EP disclosed
US-4814497-A Dehalogenation process ETHYL CORPORATION (US) 1989-03-21 US disclosed
US-4484993-A ULTRASONIC ENERGY DAIKIN KOGYO CO., LTD. (JP) 1984-11-27 US disclosed
EP-0082252-A1 Process for producing fluorine-containing organic compound Daikin Kogyo Co., Ltd. (JP) 1983-06-29 EP disclosed
JP-S5754124-A PREPARATION OF OLEFIN DERIVATIVE CONTAINING PERFLUORO GROUP SAGAMI CHEM RES CENTER 1982-03-31 JP disclosed