SCHEMBL10334249

SCHEMBL10334249

CC(=O)C1(Br)COc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOTUM Q6P988 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MTNR1A P48039 1/20 0.38
P2RX4 Q99571 1/20 0.37
HSD17B3 P37058 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
THPO P40225 1/20 0.35

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
Hydrochloric Acid SCHEMBL11207428 0.81 ALOX15 (0.40) ALOX15GAASMN1; SMN2ADRA2ACYP2D6
SCHEMBL10334214 0.77 ALOX15 (0.48) ALOX15GAASMN1; SMN2NOTUMLMNA
SCHEMBL10334355 0.73 ALOX15 (0.45) ALOX15GAASMN1; SMN2NOTUMLMNA
SCHEMBL3260382 0.71 ABCG2 (0.44) ALOX15SMN1; SMN2LMNAHTTADRA2A
SCHEMBL1986826 0.70 ALOX15 (0.44) ALOX15GAASMN1; SMN2NOTUMLMNA
SCHEMBL10334334 0.70 ALOX15 (0.42) ALOX15GAASMN1; SMN2LMNAKDM4E
SCHEMBL8308888 0.69 ALOX15 (0.43) ALOX15GAASMN1; SMN2HTTKDM4E
Hydrochloric Acid SCHEMBL10335958 0.69 ALOX15 (0.43) ALOX15GAASMN1; SMN2NOTUMLMNA
SCHEMBL10335957 0.69 ALOX15 (0.43) ALOX15GAASMN1; SMN2NOTUMLMNA
SCHEMBL10976290 0.69 ALOX15 (0.43) ALOX15GAASMN1; SMN2NOTUMLMNA

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
US-4948797-A 2,2-disubstitued 2,3-dihydro-1,4-benzodioxin derivatives having hypotensive activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1990-08-14 US disclosed
EP-0367888-A1 2,2-Disubstituted 2,3-dihydro-1,4-benzodioxin derivatives having hypotensive activity ISTITUTO LUSO FARMACO D'ITALIA S.p.A. (IT) 1990-05-16 EP disclosed