SCHEMBL27720748

SCHEMBL27720748

OB(O)Oc1cccc(C(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
ACHE P22303 3/20 0.35
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
BCHE P06276 2/20 0.33
AOC3 Q16853 2/20 0.33
ALOX5 P09917 1/20 0.33
ENPP2 Q13822 1/20 0.32
FAAH O00519 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A4 P31645 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
SCHEMBL3120439 0.85 KDM4E (0.45) PTGS1ACHEMEN1CYP2D6KMT2A
SCHEMBL28234166 0.83 UGT2B7 (0.44) PTGS1ACHEMEN1CYP2D6KMT2A
Ethylene Glycol SCHEMBL28804481 0.79 KDM4E (0.44) PTGS1ACHEMEN1KMT2AAOC3
SCHEMBL6677730 0.79 ENPP2 (0.41) ACHEMEN1KMT2AENPP2TSHR
SCHEMBL27921960 0.77 MEP1B (0.43) MEN1KMT2AMRGPRX4KDM4ETSHR
SCHEMBL28194677 0.76 PPARG (0.39) PTGS1ACHEENPP2MRGPRX4SLC6A4
SCHEMBL28067372 0.75 MRGPRX4 (0.35) MRGPRX4
SCHEMBL15271036 0.74 CASR (0.51) ACHEAOC3L3MBTL1
SCHEMBL17801409 0.74 PTGS1 (0.37) PTGS1ACHEMEN1CYP2D6KMT2A
SCHEMBL31395446 0.74 PPARG (0.40) PTGS1ACHEENPP2MRGPRX4SLC6A4

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
CN-119463663-A Corrosion-resistant stainless steel seamless steel pipe and manufacturing method thereof 浙江邦诺钢管有限公司 2025-02-18 CN claimed
CN-119463663-A Corrosion-resistant stainless steel seamless steel pipe and manufacturing method thereof 浙江邦诺钢管有限公司 2025-02-18 CN disclosed
CN-107074783-B Hydroxyalkyl substituted phenyl triazole derivatives and uses thereof 拜耳制药股份公司 2020-06-05 CN disclosed
CN-101255209-A Diene polymer and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-09-03 CN disclosed