SCHEMBL28125342

SCHEMBL28125342

O=Cc1cc(-c2ccccc2)oc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
TNKS O95271 2/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44

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
SCHEMBL28125334 1.00 KDM4E (0.46) KDM4EALDH1A1LMNATNKSGABRP
SCHEMBL11762040 0.90 KDM4E (0.50) KDM4EALDH1A1LMNATNKSGABRP
SCHEMBL28125343 0.84 KDM4E (0.43) KDM4EALDH1A1TNKSGABRPGABRD
SCHEMBL28124986 0.84 MAOB (0.44) KDM4EALDH1A1LMNATNKSPARP1
SCHEMBL28125341 0.84 MAOB (0.44) KDM4EALDH1A1LMNATNKSPARP1
SCHEMBL28125408 0.84 TNKS (0.44) KDM4EALDH1A1TNKSPOLBPDE4A
SCHEMBL28125406 0.84 MAOB (0.45) KDM4EALDH1A1LMNATNKSGABRP
SCHEMBL28218744 0.82 ALDH1A1 (0.44) KDM4EALDH1A1TNKSGABRPGABRD
SCHEMBL28125001 0.80 TNKS (0.49) ALDH1A1LMNATNKSPARP1TNKS2
SCHEMBL28125344 0.76 CYP2E1 (0.44) KDM4EALDH1A1MAOBPOLBPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106316995-B The rearrangement reaction synthesis 3- formylfuran class compounds of silver-colored catalysis epoxidation compound and its application 陕西师范大学 2018-05-04 CN disclosed
CN-106316995-A Rearrangement reaction synthesized 3-furan-carbaldehyde compound of silver catalytic epoxy compound and application of 3-furan-carbaldehyde compound 陕西师范大学 2017-01-11 CN disclosed