SCHEMBL28055528

SCHEMBL28055528

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 2/20 0.39
PABPC1 P11940 1/20 0.39
EIF4H Q15056 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.37
KDM4E B2RXH2 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) MEN1KMT2ARAB9APOLBL3MBTL1
SCHEMBL28055523 0.85 KMT2A (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL28055480 0.85 KMT2A (0.44) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL27825153 0.79 PTGS2 (0.36) MAPTRECQLTDP1TP53TSHR
SCHEMBL28057650 0.76 L3MBTL1 (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL27729027 0.75 L3MBTL1 (0.49) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL27708790 0.72 PDPK1 (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL28578731 0.72 ALDH1A1 (0.40) RAB9APOLBALDH1A1MAPTTDP1
SCHEMBL28686449 0.72 MAPT (0.40) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL6913728 0.71 ALDH1A1 (0.46) MEN1KMT2ARAB9APOLBL3MBTL1

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-105439995-B A kind of semicarbazone class compound and preparation method thereof, application 西华大学 2018-12-04 CN disclosed
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-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