SCHEMBL29956537

SCHEMBL29956537

Cc1cc(C)c2cc(C=O)c(=O)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.53
GRIA2 P42262 1/20 0.53
GRIA3 P42263 1/20 0.53
GRIA4 P48058 1/20 0.53
GRIN2D O15399 4/20 0.52
GRIN3B O60391 4/20 0.52
GRIN1 Q05586 4/20 0.52
GRIN2A Q12879 4/20 0.52
GRIN2B Q13224 4/20 0.52
GRIN2C Q14957 4/20 0.52
GRIN3A Q8TCU5 4/20 0.52
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
MPI P34949 1/20 0.42
KMT2A Q03164 1/20 0.42
PIM3 Q86V86 1/20 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
SCHEMBL4070484 0.75 HSD17B10 (0.52) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL19448889 0.74 DAO (0.60) GRIA1GRIA2GRIA3GRIA4HSD17B10
SCHEMBL8872288 0.74 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872485 0.73 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17603468 0.73 KDM4E (0.60) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL29951486 0.71 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4HSD17B10
SCHEMBL4106429 0.70 DAO (0.60) GRIA1GRIA2GRIA3GRIA4HSD17B10
SCHEMBL1306045 0.70 KDM4E (0.53) GRIA1GRIA2GRIA3GRIA4HSD17B10
SCHEMBL7195058 0.70 NPC1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3267277 0.70 RXFP1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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