SCHEMBL28864433

SCHEMBL28864433

COc1ccc(C#CCC(O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.50
MMP3 P08254 4/20 0.50
MMP13 P45452 4/20 0.50
KMT2A Q03164 2/20 0.49
MMP1 P03956 2/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
PBRM1 Q86U86 1/20 0.46
AOC3 Q16853 2/20 0.45
APP P05067 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR1A P08908 1/20 0.44
SLC5A2 P31639 1/20 0.43
ACP3 P15309 1/20 0.43
HTR2A P28223 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL30556452 0.85 GAA (0.52) MMP2MMP3MMP13KMT2AAOC3
SCHEMBL5014307 0.84 KMT2A (0.60) MMP2MMP13KMT2AAOC3APP
SCHEMBL28864450 0.83 KMT2A (0.53) MMP2MMP3MMP13KMT2AAOC3
SCHEMBL28956644 0.80 ALDH1A1 (0.52) KMT2AKDM4EGAASMN1; SMN2TDP1
SCHEMBL28864436 0.80 KMT2A (0.49) MMP2MMP3MMP13KMT2AAOC3
SCHEMBL28864431 0.80 KMT2A (0.49) KMT2AAOC3KDM4EHTR2ATSHR
SCHEMBL986079 0.79 ACACB (0.43) KMT2APBRM1AOC3KDM4EGAA
SCHEMBL23572596 0.76 APP (0.49) KMT2APBRM1APPACP3ALDH1A1
SCHEMBL2685285 0.76 APP (0.49) KMT2APBRM1APPACP3ALDH1A1
SCHEMBL1496702 0.76 KMT2A (0.58) KMT2AAOC3KDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197180-B Synthesis method of 3-selenofurans compound promoted by visible light 南通大学 2024-01-23 CN disclosed
CN-116574072-A Method for preparing 2, 5-diaryl substituted furan 南通大学 2023-08-11 CN disclosed
CN-115197180-A Synthesis method of visible light promoted 3-selenofuran compound 南通大学 2022-10-18 CN disclosed