SCHEMBL4590122

SCHEMBL4590122

C=CCOC(=O)NCCc1ccc(OCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
GLA P06280 1/20 0.59
ACACB O00763 4/20 0.55
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
LMNA P02545 2/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
FAAH O00519 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL4589632 0.86 KMT2A (0.54) KMT2AGLAMAPTNPC1RAB9A
SCHEMBL9507749 0.86 CASP1 (0.51) KMT2AGLAPOLBFAAH
SCHEMBL11077052 0.81 ACACB (0.52) KMT2AGLAACACBSMN1; SMN2POLB
SCHEMBL6996476 0.81 KMT2A (0.47) KMT2AGLAFAAHHDAC3HDAC4
SCHEMBL12201807 0.80 ESRRG (0.53) KMT2AGLANPC1RAB9AFAAH
SCHEMBL31437081 0.79 FFAR1 (0.52) KMT2AMAPTLMNA
SCHEMBL97962 0.78 CA2 (0.48) KMT2AGLAACACBSMN1; SMN2POLB
SCHEMBL12475741 0.77 ACACB (0.86) KMT2AACACBMAPTNPC1RAB9A
SCHEMBL4519919 0.77 MAPT (0.67) KMT2AGLAACACBMAPTNPC1
SCHEMBL27741033 0.77 ACACB (0.59) KMT2AGLAACACBMAPTNPC1

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-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO disclosed