SCHEMBL28055480

SCHEMBL28055480

O=CC(=CCc1ccco1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.42
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL28304781 0.86 TSHR (0.40) KMT2AMEN1HPGDPOLBL3MBTL1
SCHEMBL28055528 0.85 MEN1 (0.43) KMT2AMEN1HPGDPOLBL3MBTL1
SCHEMBL28055523 0.85 KMT2A (0.44) KMT2AMEN1HPGDPOLBLMNA
SCHEMBL27825153 0.79 PTGS2 (0.36) TDP1MAPTTP53TSHRKDM4E
SCHEMBL28057650 0.76 L3MBTL1 (0.46) KMT2AMEN1HPGDPOLBL3MBTL1
SCHEMBL9508485 0.74 MAOA (0.55) KMT2AMEN1POLBL3MBTL1LMNA
SCHEMBL9508489 0.74 MAOA (0.55) KMT2AMEN1POLBL3MBTL1LMNA
SCHEMBL28053520 0.73 POLB (0.43) KMT2AMEN1HPGDPOLBLMNA
SCHEMBL28578731 0.72 ALDH1A1 (0.40) HPGDPOLBTDP1MAPTALDH1A1
SCHEMBL27339159 0.72 TRPA1 (0.45) KMT2AMEN1HPGDPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105348239-B A kind of 1- (2- furyl) -3- (4- substituted-phenyl) acryloyl derivative and preparation method thereof, application 西华大学 2018-12-04 CN disclosed
CN-105439995-B A kind of semicarbazone class compound and preparation method thereof, application 西华大学 2018-12-04 CN disclosed
CN-105439995-A Semicarbazone compound and preparation method and application thereof UNIV XIHUA 2016-03-30 CN disclosed
CN-105348239-A 1-(2-furyl)-3-(4-substituted phenyl)propylene derivative as well as preparation method and application thereof UNIV XIHUA 2016-02-24 CN disclosed
CN-105348233-A 3-(2-furyl)propenol derivative as well as preparation method and application thereof UNIV XIHUA 2016-02-24 CN disclosed