SCHEMBL9227488

SCHEMBL9227488

Cc1ccc(C=CC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.60
RELA Q04206 1/20 0.45
CA1 P00915 1/20 0.45
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CYP2A6 P11509 1/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
FBP1 P09467 1/20 0.42
ALOX5 P09917 1/20 0.42
ACHE P22303 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38

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
SCHEMBL9227484 1.00 NFE2L2 (0.60) NFE2L2RELACA1CYP1A1CYP1B1
SCHEMBL15172834 0.79 NFE2L2 (0.43) NFE2L2PTGS1PTGS2
SCHEMBL29521591 0.77 CYP1A2 (0.52) PTGS1PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL9227398 0.77 NFE2L2 (0.45) NFE2L2RELACA1CYP1A1CYP1B1
SCHEMBL31510225 0.76 APP (0.52) NFE2L2RELACA1CYP1A1CYP1B1
SCHEMBL16651 0.76 CYP2C19 (0.42) NFE2L2CYP2A6RAB9AMAPTCYP3A4
SCHEMBL9227835 0.76 AHR (0.48) NFE2L2CYP2A6PTGS1PTGS2FBP1
SCHEMBL31510224 0.76 APP (0.52) NFE2L2RELACA1CYP1A1CYP1B1
SCHEMBL318786 0.76 NFE2L2 (0.74) NFE2L2RELACA1CYP2A6PTGS1
(E)-1,2-Di-P-Tolylethene SCHEMBL1305582 0.76 NFE2L2 (0.74) NFE2L2RELACA1CYP2A6PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420987-A1 Process for preparing fluoroalkyl derivatives NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-04-10 EP claimed
CN-114369023-B Synthesis method and application of 2-aryl acrylate 华南理工大学 2023-01-06 CN disclosed
CN-114369023-A Synthesis method and application of 2-aryl acrylate 华南理工大学 2022-04-19 CN disclosed
CN-108658716-B Method for synthesizing olefin compound by photoinduction one-pot method 清华大学 2020-06-19 CN disclosed
CN-109651191-A A kind of difluoromethyl oxime ether derivatives and its synthetic method 华南理工大学 2019-04-19 CN disclosed
CN-108658716-A A kind of method of photoinduction one pot process alkenes compounds 清华大学 2018-10-16 CN disclosed
EP-0420987-B1 Process for preparing fluoroalkyl derivatives NIPPON OILS & FATS CO LTD (JP) 1995-05-03 EP disclosed
US-5118879-A Used in the synthesis of medicinal and agricultural chemicals and water- and oil-repellent agents NIPPON OIL AND FATS CO., LTD. (JP) 1992-06-02 US disclosed
EP-0420987-A1 Process for preparing fluoroalkyl derivatives NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-04-10 EP disclosed