SCHEMBL15535873

SCHEMBL15535873

CC(C)C(O)(CN)C(C)C.CCOCC(C)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6880828 0.78
SCHEMBL15671 0.78
SCHEMBL9636848 0.78
SCHEMBL15902740 0.78 HSD17B10 (0.62) HSD17B10MAPK1TDP1
Water SCHEMBL27656190 0.76
SCHEMBL746608 0.76 ALDH1A1 (0.39)
Alcohol SCHEMBL14895274 0.74 HSD17B10 (0.56) HSD17B10MAPK1TDP1
Ethylene SCHEMBL29154719 0.74
Methoxymethane SCHEMBL28415479 0.74 HSD17B10 (0.56) HSD17B10MAPK1TDP1
Propylene Glycol SCHEMBL10577798 0.72 HSD17B10 (0.54) HSD17B10MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855546-A1 CONTACT LENSES COMPRISING WATER SOLUBLE N-(2 HYDROXYALKYL) (METH)ACRYLAMIDE POLYMERS OR COPOLYMERS Johnson & Johnson Vision Care Inc. (US) 2015-04-08 EP disclosed
WO-2013177513-A1 CONTACT LENSES COMPRISING WATER SOLUBLE N-(2 HYDROXYALKYL) (METH)ACRYLAMIDE POLYMERS OR COPOLYMERS JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-11-28 WO disclosed