SCHEMBL29953028

SCHEMBL29953028

CC(C)(C)NC(=O)COc1ccc(Cl)cc1C=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL2561752 0.89 KMT2A (0.49) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL15330964 0.85 ALDH1A1 (0.56) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL29953338 0.83 KDM4E (0.67) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL2554750 0.83 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL692841 0.82 MAPT (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2560314 0.82 SMN1; SMN2 (0.71) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29951938 0.81 PTGDR2 (0.60) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL15331042 0.81 NPSR1 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2559381 0.80 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2562688 0.80 GAA (0.47) POLBALDH1A1MAPTMEN1KMT2A

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