SCHEMBL29954876

SCHEMBL29954876

CC(=O)c1c[nH]c(C(=O)N(CC(=O)O)CC2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 9/20 0.48
SMYD3 Q9H7B4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.35
HCAR3 P49019 1/20 0.34
MLYCD O95822 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15330958 0.82 KMT2A (0.41) PKMSMYD3L3MBTL1KMT2ARAB9A
SCHEMBL15330269 0.73 TDP1 (0.42) SMYD3L3MBTL1KMT2ARAB9ATDP1
SCHEMBL29957675 0.72 SMYD3 (0.40) PKMSMYD3L3MBTL1SMN1; SMN2KMT2A
SCHEMBL29954567 0.70 TDP1 (0.40) SMYD3L3MBTL1KMT2ARAB9ATDP1
SCHEMBL29957012 0.68 ITGB3 (0.44) SMYD3KMT2ARAB9ATDP1
SCHEMBL8284047 0.67 TDP1 (0.58) PKMSMYD3L3MBTL1SMN1; SMN2KMT2A
SCHEMBL27483961 0.66 SMYD3 (0.51) PKMSMYD3L3MBTL1SMN1; SMN2KMT2A
SCHEMBL29191074 0.63 L3MBTL1 (0.66) SMYD3L3MBTL1KMT2ATDP1
SCHEMBL2559857 0.62 L3MBTL1 (0.41) SMYD3L3MBTL1SMN1; SMN2KMT2ARAB9A
SCHEMBL30395996 0.62 SMYD3 (0.47) SMYD3L3MBTL1SMN1; SMN2KMT2ATDP1

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