SCHEMBL28175191

SCHEMBL28175191

CC(CC1=NCCO1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
RXRA P19793 1/20 0.34
NR4A2 P43354 1/20 0.34
TBXAS1 P24557 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 0.31
APAF1 O14727 2/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL30866976 0.81 KDM4E (0.30) KDM4EPOLBMAPTCYP3A4NFKB1
SCHEMBL6552363 0.77
SCHEMBL12375096 0.72
SCHEMBL28465482 0.72
SCHEMBL28653972 0.71
Propionic Acid SCHEMBL15412712 0.70 FFAR3 (0.39) KDM4EPOLBMAPTCYP3A4NFKB1
SCHEMBL6244826 0.70
Succinic Acid SCHEMBL28636835 0.69 LMNA (0.33) ALDH1A1L3MBTL1
SCHEMBL18614770 0.68 ADRA2A (0.39) KDM4EPOLBMAPTCYP3A4NFKB1
SCHEMBL24006697 0.66 GLA (0.31)

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-107075115-A A kind of method for preparing uniform high molecular weight ring imido ether polymer 根特大学 2017-08-18 CN disclosed