SCHEMBL29952685

SCHEMBL29952685

Cc1cc(C)c2[nH]c(C)c(C=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ABCB1 P08183 1/20 0.42
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 2/20 0.35
PARP1 P09874 1/20 0.35
DAO P14920 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL29955402 0.78 MAPT (0.44) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL29951123 0.77 MAPT (0.42) MAPTABCB1GRIN2DGRIN3BGRIN1
Acetaldehyde SCHEMBL15187460 0.76 MAPT (0.44) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL29956862 0.76 ABCB1 (0.46) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL15332833 0.76 MAPT (0.41) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL29953493 0.75 MAPT (0.41) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL29954088 0.74 AHR (0.58) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL315297 0.74 MAPT (0.53) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL15330604 0.74 MAPT (0.40) MAPTABCB1SMN1; SMN2
SCHEMBL15330218 0.73 ABCB1 (0.40) MAPTABCB1GRIN2DGRIN3BGRIN1

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