SCHEMBL11786191

SCHEMBL11786191

CC(O)COC(C)C(N)(N)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.34
LMNA P02545 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
SCHEMBL1759721 0.92 TDP1 (0.46) MAPK1TDP1HSD17B10
SCHEMBL482801 0.78 MAPK1 (0.48) MAPK1TDP1HSD17B10LMNA
SCHEMBL6129172 0.74 TDP1 (0.41) MAPK1TDP1HSD17B10
SCHEMBL2703 0.68
SCHEMBL8149144 0.68 TDP1 (0.46) MAPK1TDP1HSD17B10LMNA
SCHEMBL9910554 0.68 TDP1 (0.46) MAPK1TDP1HSD17B10LMNA
SCHEMBL28456948 0.68
SCHEMBL1416868 0.68
SCHEMBL1416856 0.68
SCHEMBL9264164 0.66

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3996269-A USEFUL AS TEXTILE TREATING AGENTS, FROM GLYCOL AMINES AND UREA ICI UNITED STATES INC. (US) 1976-12-07 US disclosed
US-3981913-A TEXTILE TREATING AGENTS, CHEMICAL INTERMEDIATES ICI UNITED STATES INC. (US) 1976-09-21 US disclosed
US-3965072-A Polyurea-urethane polymers from urea, diamines and aminoalcohols ICI UNITED STATES INC. (US) 1976-06-22 US disclosed