SCHEMBL29002121

SCHEMBL29002121

CCCCC(CCCC)CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.42
APP P05067 1/20 0.41
RECQL P46063 1/20 0.40
CA2 P00918 4/20 0.39
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 3/20 0.37
TSHR P16473 2/20 0.37
FDPS P14324 1/20 0.37
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 1/20 0.34

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
SCHEMBL27000192 0.96 TP53 (0.48) ALDH1A1TP53APPRECQLCA2
SCHEMBL29002116 0.91 ALDH1A1 (0.43) ALDH1A1TP53APPRECQLCA2
SCHEMBL10784604 0.87 LMNA (0.50) TP53CA2S1PR2S1PR1S1PR3
SCHEMBL21659085 0.87 LMNA (0.50) TP53CA2S1PR2S1PR1S1PR3
SCHEMBL503545 0.85 LMNA (0.48) ALDH1A1TP53CA2S1PR2S1PR1
SCHEMBL8810924 0.84 TP53 (0.45) TP53APPRECQLCA2S1PR2
SCHEMBL19137892 0.84 FFAR4 (0.42) TP53APPCA2S1PR2S1PR1
SCHEMBL15555634 0.84 APP (0.42) ALDH1A1TP53APPRECQLCA2
SCHEMBL28414215 0.84 TP53 (0.50) ALDH1A1TP53RECQLCA2S1PR2
SCHEMBL14549950 0.83 APP (0.46) APPS1PR2S1PR1S1PR3LMNA

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-116113830-A Compositions and methods for assay measurement 中尺度技术有限责任公司 2023-05-12 CN disclosed