SCHEMBL29952000

SCHEMBL29952000

CC(Oc1cccc(C=O)c1)C(=O)NC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 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
SCHEMBL29954591 0.95 TSHR (0.49) HPGDTSHRSMN1; SMN2NPSR1POLB
SCHEMBL29957566 0.86 HPGD (0.55) HPGDTSHRSMN1; SMN2NPSR1POLB
SCHEMBL2560494 0.81 OGG1 (0.47) HPGDTSHRSMN1; SMN2POLBKMT2A
SCHEMBL29951935 0.80 ALDH1A3 (0.50) HPGDTSHRSMN1; SMN2NPSR1RAB9A
SCHEMBL2552258 0.80 ALDH1A1 (0.48) HPGDTSHRSMN1; SMN2POLBKMT2A
SCHEMBL2173793 0.79 SRC (0.42) HPGDSMN1; SMN2POLBRAB9ANPC1
SCHEMBL4298184 0.78 GAA (0.51) HPGDSMN1; SMN2POLBKMT2ARAB9A
SCHEMBL1409135 0.78 GAA (0.51) HPGDSMN1; SMN2POLBKMT2ARAB9A
SCHEMBL2930425 0.78 GAA (0.51) HPGDSMN1; SMN2POLBKMT2ARAB9A
SCHEMBL2561340 0.76 OGG1 (0.48) HPGDTSHRSMN1; SMN2POLBKMT2A

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