SCHEMBL27741015

SCHEMBL27741015

CC(CCC(C)(C)OC(N)=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.60
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX5 P09917 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TRPA1 O75762 1/20 0.38
AOC3 Q16853 1/20 0.38
BCAT2 O15382 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28808824 0.86 RIPK1 (0.65) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27945599 0.85 RIPK1 (0.46) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27666213 0.84 RIPK1 (0.46) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27666222 0.84 RIPK1 (0.46) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27964869 0.84 RIPK1 (0.46) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL8418529 0.79 RIPK1 (0.38) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27665702 0.76 RIPK1 (0.61) RIPK1CYP1A2CYP2D6ALOX5TAAR1
SCHEMBL8415836 0.76 RIPK1 (0.36) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL8238473 0.75 LMNA (0.34)
SCHEMBL26697028 0.74 LMNA (0.49) SMN1; SMN2KMT2APOLB

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
CN-101300239-A 7- (2-amino-1-hydroxy-ethyl) -4-hydroxybenzothiazol-2 (3H) -one derivatives as beta 2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2008-11-05 CN claimed
CN-101300239-A 7- (2-amino-1-hydroxy-ethyl) -4-hydroxybenzothiazol-2 (3H) -one derivatives as beta 2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2008-11-05 CN disclosed