SCHEMBL28448168

SCHEMBL28448168

CCC(C(=O)O)C1=NCCO1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
AKR1C3 P42330 3/20 0.30
AKR1C2 P52895 3/20 0.30
AKR1C1 Q04828 1/20 0.30
PTGS1 P23219 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
SCHEMBL10586726 0.77 ENPEP (0.35)
SCHEMBL18614770 0.76 ADRA2A (0.39) ADRA2AADRA2BADRA2CKDM4EPOLB
SCHEMBL8078236 0.71
SCHEMBL14167208 0.69
SCHEMBL377055 0.69 ADRA2A (0.36) ADRA2AADRA2BADRA2C
SCHEMBL29029662 0.68 ADRA2A (0.37) ADRA2AADRA2BADRA2CKDM4EPOLB
SCHEMBL17443471 0.68 ADRA2A (0.34) ADRA2AADRA2BADRA2CKDM4EPOLB
SCHEMBL14572892 0.68 KDM4E (0.33) ADRA2AADRA2BADRA2CKDM4E
SCHEMBL30670320 0.67 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL14167280 0.67 ADRA2A (0.35) ADRA2AADRA2BADRA2CKDM4EPOLB

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-B Method for preparing uniform high-molar-mass cyclic imino ether polymer 根特大学 2020-05-29 CN disclosed