SCHEMBL28414636

SCHEMBL28414636

CCOC(=O)COCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.56
ALDH1A1 P00352 4/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.44
CYP26A1 O43174 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9460203 0.85 TBXAS1 (0.68) TBXAS1ALDH1A1ABL1RIN1EGLN3
SCHEMBL9459688 0.82 TBXAS1 (0.62) TBXAS1ALDH1A1ABL1RIN1EGLN3
SCHEMBL563845 0.80 ALDH1A1 (0.56) TBXAS1ALDH1A1ABL1RIN1EGLN3
SCHEMBL28417026 0.80 EGLN3 (0.40) TBXAS1ALDH1A1EGLN3CYP26A1SMN1; SMN2
SCHEMBL13402788 0.79 TBXAS1 (0.64) TBXAS1ALDH1A1EGLN3KDM4EMEN1
Hydrochloric Acid SCHEMBL27678497 0.79 ALDH1A1 (0.55) TBXAS1ALDH1A1ABL1RIN1EGLN3
SCHEMBL47374 0.78 TBXAS1 (0.59) TBXAS1ALDH1A1ABL1RIN1EGLN3
SCHEMBL2503173 0.77
Hydrochloric Acid SCHEMBL9460353 0.77 ALDH1A1 (0.56) TBXAS1ALDH1A1EGLN3MEN1KMT2A
SCHEMBL4793009 0.77 ALDH1A1 (0.47) TBXAS1ALDH1A1ABL1RIN1EGLN3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333651-B SCF-containing3Or SeCF3Heterocyclic compounds of (5) and process for preparing the same 中国海洋大学 2022-05-10 CN claimed
CN-111377927-A Thio or selenamide compound and preparation method thereof 中国海洋大学 2020-07-07 CN claimed
CN-111333651-A SCF-containing3Or SeCF3Heterocyclic compounds of (5) and process for preparing the same 中国海洋大学 2020-06-26 CN claimed
CN-111333651-B SCF-containing3Or SeCF3Heterocyclic compounds of (5) and process for preparing the same 中国海洋大学 2022-05-10 CN disclosed
CN-111377927-A Thio or selenamide compound and preparation method thereof 中国海洋大学 2020-07-07 CN disclosed