SCHEMBL4590036

SCHEMBL4590036

OCCOCCc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2A6 P11509 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
PKM P14618 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
SLC13A5 Q86YT5 1/20 0.41
PDPK1 O15530 1/20 0.41
SLC6A4 P31645 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SOX18 P35713 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL869422 0.91 CYP1A2 (0.54) CYP1A2KDM4EMAPK1TDP1CYP2A6
SCHEMBL29546077 0.91 CYP1A2 (0.54) CYP1A2KDM4EMAPK1TDP1CYP2A6
SCHEMBL14299363 0.90 CYP1A2 (0.53) CYP1A2KDM4EMAPK1TDP1CYP2A6
SCHEMBL4589937 0.88 CYP1A2 (0.47) CYP1A2KDM4EMAPK1TDP1CYP2A6
SCHEMBL4590193 0.84 CYP1A2 (0.41) CYP1A2KDM4EMAPK1TDP1CYP2A6
SCHEMBL25753060 0.84 KDM4E (0.49) CYP1A2KDM4EMAPK1TDP1CYP2A6
SCHEMBL12308438 0.84 KDM4E (0.49) CYP1A2KDM4EMAPK1TDP1CYP2A6
SCHEMBL25753059 0.84 KDM4E (0.49) CYP1A2KDM4EMAPK1TDP1CYP2A6
SCHEMBL4223879 0.84 GBA1 (0.48) CYP1A2KDM4EMAPK1TDP1CYP2A6
SCHEMBL14814417 0.82 CYP1A2 (0.47) CYP1A2KDM4EMAPK1TDP1CYP2A6

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