SCHEMBL5835997

SCHEMBL5835997

CC(C)(C)N1C(=O)CC1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.43
ITGA5 P08648 6/20 0.43
ITGA4 P13612 2/20 0.40
POLB P06746 2/20 0.40
ITGB3 P05106 3/20 0.37
ITGB2 P05107 3/20 0.37
ITGAV P06756 3/20 0.37
ITGAL P20701 3/20 0.37
ITGB5 P18084 2/20 0.37
ITGA2B P08514 1/20 0.37
ITGB6 P18564 1/20 0.36
TSHR P16473 1/20 0.33
RIPK1 Q13546 2/20 0.33
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRR1 P24046 1/20 0.32
MT-CO2 P00403 1/20 0.30
ALOX5 P09917 1/20 0.30
BRD4 O60885 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10415303 0.73 ITGB1 (0.40) ITGB1ITGA5ITGA4POLBITGB3
SCHEMBL14282112 0.66 ITGB1 (0.40) ITGB1ITGA5ITGA4MAPT
SCHEMBL9811345 0.66 ITGB1 (0.34) ITGB1ITGA5ITGA4
SCHEMBL6183315 0.65 HSD17B10 (0.35)
SCHEMBL17938745 0.64 GRIN2D (0.38) ITGB1ITGA5ITGA4ITGB3ITGB2
SCHEMBL17245270 0.62 HTT (0.40)
SCHEMBL17250814 0.62 HTT (0.40)
SCHEMBL21972869 0.62 POLB (0.34) POLBRIPK1
SCHEMBL22541554 0.62 PER2 (0.36)
SCHEMBL4553182 0.60 BRD4 (0.67) ITGB1ITGA5POLBITGB3ITGB2

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-RE38947-E1 Method of enantioselectively catalyzing a reaction RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2006-01-24 US disclosed