SCHEMBL24311998

SCHEMBL24311998

C=C(N)c1ccc(C(C)C)o1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 1/20 0.31

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
SCHEMBL280106 0.78 LMNA (0.43) MAPTPKMHSD17B10ALOX5
SCHEMBL25859532 0.75 CYP2C19 (0.33)
SCHEMBL13134021 0.73
SCHEMBL13889425 0.71 CHRM2 (0.40) MAPTPKMHSD17B10
SCHEMBL5520513 0.71 TDP1 (0.47) HSD17B10
SCHEMBL18403759 0.70 KDM4E (0.35) ALOX5
SCHEMBL28289835 0.70 TDP1 (0.45) HSD17B10
SCHEMBL29263881 0.69 MAPT (0.45) MAPT
SCHEMBL786364 0.69 TDP1 (0.33)
SCHEMBL28362770 0.68 PTGER1 (0.38)

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
EP-3250533-B1 MINERAL FIBRE MATS COMPRISING A BINDER BASED ON LIGNOSULFONATE AND A CARBONYL COMPOUND SAINT GOBAIN ADFORS (FR) 2022-03-09 EP disclosed