SCHEMBL28831107

SCHEMBL28831107

CCCCc1ccccc1-c1ccccc1C=Cc1ccc(OC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
TTR P02766 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41

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
SCHEMBL28831104 1.00 MEN1 (0.47) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL28077142 0.85 RELA (0.50) KDM4EESR1ESR2SNCA
SCHEMBL28077140 0.85 RELA (0.50) KDM4EESR1ESR2SNCA
SCHEMBL16234759 0.84 KMT2A (0.50) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL16234758 0.84 KMT2A (0.50) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL16250663 0.83 TDP1 (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL28831178 0.82 PTPN1 (0.43) KMT2AMAPTKDM4ELMNASMN1; SMN2
SCHEMBL28077237 0.82 NFE2L2 (0.40) MAPTTP53CYP3A4SMN1; SMN2
SCHEMBL28831064 0.81 NFE2L2 (0.46) MAPTLMNACYP3A4SMN1; SMN2NPC1
SCHEMBL28831061 0.81 NFE2L2 (0.46) MAPTLMNACYP3A4SMN1; SMN2NPC1

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-105837388-B The preparation method of alkyl and the bifunctional dough biphenyl compound of alkenyl modification 同济大学 2018-08-28 CN disclosed
CN-105837388-A Alkyl/alkenyl-modified difunctional biphenyl compounds and preparation method thereof 同济大学 2016-08-10 CN disclosed