SCHEMBL12192590

SCHEMBL12192590

CC(C)c1[nH]c(N)nc(=O)c1CCO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32
CHEK1 O14757 1/20 0.32
BACE1 P56817 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PNP P00491 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL9965294 0.78 HSD17B10 (0.46) CHEK1BACE1HSD17B10PNPMAPK1
SCHEMBL14796354 0.74 NPSR1 (0.40) PNPTRPV1MAPK1NPSR1MEN1
SCHEMBL512553 0.71 NPSR1 (0.58) PKMCHEK1PNPMAPK1NPSR1
SCHEMBL12193369 0.67 JAK2 (0.41) PNP
SCHEMBL30065012 0.62 NPSR1 (0.55) PKMHSD17B10MAPK1NPSR1MEN1
SCHEMBL11988258 0.61 HSD17B10 (0.54) PKMBACE1HSD17B10MAPK1NPSR1
SCHEMBL8531415 0.61 KDM5B (0.33) HSD17B10PNPNPSR1ALDH1A1
SCHEMBL11988254 0.60 HSD17B10 (0.45) PKMHSD17B10MAPK1NPSR1MEN1
SCHEMBL11681294 0.60 PNP (0.39) HSD17B10PNPNPSR1
SCHEMBL7147721 0.60 GAA (0.46) PKMNPSR1MEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006364-B2 Supramolecular polymers from low-melting, easily processable building blocks SUPRAPOLIX B.V. (NL) 2015-04-14 US disclosed
US-9006364-B2 Supramolecular polymers from low-melting, easily processable building blocks SUPRAPOLIX B.V. (NL) 2015-04-14 US disclosed
US-20140142256-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2014-05-22 US disclosed
US-20140142256-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2014-05-22 US disclosed
EP-2087027-B1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX BV (NL) 2011-10-05 EP disclosed
US-20100076147-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2010-03-25 US disclosed
US-20100076147-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2010-03-25 US disclosed
WO-2008063057-A2 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2008-05-29 WO disclosed