SCHEMBL29075864

SCHEMBL29075864

CCCCCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
ACE P12821 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
TRPV1 Q8NER1 4/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 5/20 0.39
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
HDAC11 Q96DB2 4/20 0.39
GPR84 Q9NQS5 3/20 0.39
TLR2 O60603 2/20 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
SCHEMBL396912 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL28707376 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL9217197 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL9209387 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL31222356 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL16872751 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL2694476 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL9217200 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL9209391 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL28481907 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1

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-116785489-A Chitosan-based polyelectrolyte/surfactant composite sponge and preparation method and application thereof 哈尔滨工程大学 2023-09-22 CN claimed
CN-116785489-A Chitosan-based polyelectrolyte/surfactant composite sponge and preparation method and application thereof 哈尔滨工程大学 2023-09-22 CN disclosed