SCHEMBL29954591

SCHEMBL29954591

CC(Oc1cccc(C=O)c1)C(=O)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
OGG1 O15527 1/20 0.43
SRC P12931 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 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
SCHEMBL29952000 0.95 HPGD (0.55) TSHRHPGDMAPTHTTMEN1
SCHEMBL29951935 0.85 ALDH1A3 (0.50) TSHRHPGDMAPTHTTALDH1A1
SCHEMBL2552258 0.82 ALDH1A1 (0.48) TSHRHPGDMAPTHTTOGG1
SCHEMBL2560494 0.81 OGG1 (0.47) TSHRHPGDMAPTHTTOGG1
SCHEMBL29957566 0.80 HPGD (0.55) TSHRHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL29951341 0.79 ALDH1A1 (0.50) TSHRHPGDMAPTALDH1A1KMT2A
SCHEMBL29956939 0.79 ALDH1A1 (0.50) TSHRHPGDMAPTALDH1A1KMT2A
SCHEMBL15330677 0.79 HPGD (0.52) TSHRHPGDHTTALDH1A1MEN1
SCHEMBL29950635 0.78 SMN1; SMN2 (0.48) TSHRMAPTOGG1SRCALDH1A1
SCHEMBL2561340 0.78 OGG1 (0.48) TSHRHPGDMAPTOGG1SRC

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