SCHEMBL21673282

SCHEMBL21673282

C=C(NC)[C@H]1CCC(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
CNR1 P21554 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
GAA P10253 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
SCHEMBL23470353 0.84 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL13451733 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL85699 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL6664539 0.78
SCHEMBL14827812 0.78
SCHEMBL13599945 0.75
Pidolic Acid SCHEMBL13721064 0.74 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL8920712 0.71
SCHEMBL2132866 0.71
SCHEMBL3134625 0.71

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
WO-2020025030-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION 上海轶诺药业有限公司 2020-02-06 WO disclosed