SCHEMBL30280767

SCHEMBL30280767

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.47
SLC15A1 P46059 2/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CDC25B P30305 1/20 0.43
LTA4H P09960 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL3662344 0.89 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL3662342 0.89 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL28277844 0.89 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL28525631 0.86 LTA4H (0.46) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL26477155 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL6427243 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL18953153 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL4536087 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL4536083 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL5493562 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113150068-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-04-04 CN disclosed