SCHEMBL29950867

SCHEMBL29950867

COc1cccc2c(C=O)c(C3CCCCC3)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
NQO2 P16083 1/20 0.45
TUBB4A P04350 4/20 0.42
TUBB P07437 4/20 0.42
TUBA3C P0DPH7 4/20 0.42
TUBA1B P68363 4/20 0.42
TUBA4A P68366 4/20 0.42
TUBB4B P68371 4/20 0.42
TUBB3 Q13509 4/20 0.42
TUBB2A Q13885 4/20 0.42
TUBB8 Q3ZCM7 4/20 0.42
TUBA3E Q6PEY2 4/20 0.42
TUBA1A Q71U36 4/20 0.42
TUBA1C Q9BQE3 4/20 0.42
TUBB6 Q9BUF5 4/20 0.42
TUBB2B Q9BVA1 4/20 0.42
TUBB1 Q9H4B7 4/20 0.42
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL29955208 0.95 ALDH1A1 (0.56) ALDH1A1NQO2TUBB4ATUBBTUBA3C
SCHEMBL29951956 0.82 TRIM24 (0.41) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL29951772 0.80 DYRK1A (0.40) GAAHTTDYRK1AABCB1MAPK10
SCHEMBL29956616 0.80 MEN1 (0.41) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL29955075 0.76 PIM1 (0.45) ALDH1A1KDM4EHPGDMEN1POLB
SCHEMBL29952619 0.76 TRIM24 (0.43) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL29956415 0.76 ALDH1A1 (0.62) ALDH1A1NQO2KDM4EHPGDMAPT
SCHEMBL29954922 0.74 DYRK1A (0.35) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL29953449 0.73 FEN1 (0.38) ALDH1A1DYRK1AABCB1MAPK10
SCHEMBL29954635 0.73 PIM1 (0.43) ALDH1A1KDM4EDYRK1AHSD17B10

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