SCHEMBL29220153

SCHEMBL29220153

C=CCC(C)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HCAR2 Q8TDS4 1/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP8 P22894 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
TGM2 P21980 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL1273767 0.88 ALDH1A1 (0.50) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL15114507 0.86 ALDH1A1 (0.49) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL20150647 0.86 ALDH1A1 (0.49) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL19388495 0.86 ALDH1A1 (0.49) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL14847458 0.85 ALDH1A1 (0.47) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL24425865 0.84 ALDH1A1 (0.49) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL29815474 0.84 ALDH1A1 (0.46) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL4005645 0.84 ALDH1A1 (0.46) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL28507066 0.82 ALDH1A1 (0.45) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL24627654 0.82 ALDH1A1 (0.47) ALDH1A1HCAR2KMT2ATDP1MAPK1

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-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed