SCHEMBL28515788

SCHEMBL28515788

C#CCN1CCOC(CNC(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CCR3 P51677 1/20 0.35
▸ BCHE P06276 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PKM P14618 2/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL21069493 0.81 CACNA1H (0.38) CACNA1HBCHEALDH1A1MAOBTSHR
SCHEMBL21071400 0.81 CACNA1H (0.38) CACNA1HBCHEALDH1A1MAOBTSHR
SCHEMBL22609446 0.81 CACNA1H (0.38) CACNA1HBCHEALDH1A1MAOBTSHR
SCHEMBL21069557 0.77 PDK1 (0.45) DRD4
SCHEMBL26925497 0.75 BCHE (0.41) BCHEMAOB
SCHEMBL26923812 0.75 BCHE (0.41) BCHEMAOB
SCHEMBL21813316 0.74 ACKR3 (0.51) KDM4ECACNA1HALDH1A1TDP1PKM
SCHEMBL2769124 0.74 DRD4 (0.61) KDM4ECCR3ALDH1A1TDP1DRD4
SCHEMBL5429645 0.74 DRD4 (0.61) KDM4ECCR3ALDH1A1TDP1DRD4
SCHEMBL2770194 0.74 DRD4 (0.61) KDM4ECCR3ALDH1A1TDP1DRD4

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-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 — — CN disclosed
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