SCHEMBL29956477

SCHEMBL29956477

CCNC(=O)COc1c(OC)cc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 5/20 0.42
HPGD P15428 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL2561474 0.88 ALDH1A1 (0.45) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL2558197 0.87 ALDH1A1 (0.71) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL532027 0.86 ALDH1A1 (0.49) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL5340763 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1SMN1; SMN2MAPTHPGD
SCHEMBL14835718 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL2559587 0.81 ALDH1A1 (0.64) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL29087050 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL29954001 0.80 ALDH1A1 (0.66) ALDH1A1POLBSMN1; SMN2MAPTHPGD
SCHEMBL29957232 0.80 ALDH1A1 (0.66) ALDH1A1POLBSMN1; SMN2MAPTHPGD
SCHEMBL7821448 0.79 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2MAPTHPGD

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed