SCHEMBL29220175

SCHEMBL29220175

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 1/20 0.44
HCAR2 Q8TDS4 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC15A1 P46059 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PTPN1 P18031 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
TGM2 P21980 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL2082563 0.85 ALDH1A1 (0.41) ALDH1A1MAPTHCAR2KMT2AMAPK1
SCHEMBL2082566 0.85 ALDH1A1 (0.41) ALDH1A1MAPTHCAR2KMT2AMAPK1
SCHEMBL9326476 0.82 MAPT (0.43) MAPTTDP1CTSB
SCHEMBL24627654 0.81 ALDH1A1 (0.47) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL1273767 0.81 ALDH1A1 (0.50) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL29220153 0.81 ALDH1A1 (0.50) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL24425865 0.80 ALDH1A1 (0.49) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL15114507 0.79 ALDH1A1 (0.49) ALDH1A1MAPTHCAR2KMT2AMAPK1
SCHEMBL19388495 0.79 ALDH1A1 (0.49) ALDH1A1MAPTHCAR2KMT2AMAPK1
SCHEMBL20150647 0.79 ALDH1A1 (0.49) ALDH1A1MAPTHCAR2KMT2AMAPK1

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