SCHEMBL11226581

SCHEMBL11226581

CC(NCC(O)COc1ccc(O)cc1)C(O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.66
PTGS1 P23219 1/20 0.66
KMT2A Q03164 3/20 0.64
HIF1A Q16665 2/20 0.64
MEN1 O00255 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP1A2 P05177 1/20 0.64
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
DRD1 P21728 1/20 0.64
SLC6A4 P31645 1/20 0.64
CYP2C19 P33261 1/20 0.64
ADRA1A P35348 1/20 0.64
OPRM1 P35372 1/20 0.64
DRD3 P35462 1/20 0.64
SLC6A3 Q01959 1/20 0.64
KCNH2 Q12809 1/20 0.64
CDK1 P06493 1/20 0.64
MAPK1 P28482 1/20 0.63
ADRB3 P13945 8/20 0.59

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
SCHEMBL11226058 0.82 SLC6A2 (0.71) SLC6A2PTGS1KMT2AHIF1AMEN1
SCHEMBL7039636 0.81 HIF1A (0.54) SLC6A2PTGS1KMT2AHIF1AMEN1
Prenalterol SCHEMBL249753 0.80 PTGS1 (1.00) SLC6A2PTGS1KMT2AMEN1CYP2D6
Prenalterol SCHEMBL10816429 0.80 PTGS1 (1.00) SLC6A2PTGS1KMT2AMEN1CYP2D6
Prenalterol SCHEMBL10788435 0.80 PTGS1 (1.00) SLC6A2PTGS1KMT2AMEN1CYP2D6
SCHEMBL7042590 0.80 ADRB2 (0.56) SLC6A2PTGS1KMT2AHIF1AMEN1
SCHEMBL11284468 0.79 PTGS1 (0.79) SLC6A2PTGS1KMT2AMEN1CYP2D6
Prenalterol SCHEMBL11193769 0.79 PTGS1 (0.97) SLC6A2PTGS1KMT2AMEN1CYP2D6
Prenalterol SCHEMBL121857 0.79 PTGS1 (0.97) SLC6A2PTGS1KMT2AMEN1CYP2D6
Isoxsuprine SCHEMBL16491944 0.78 HIF1A (1.00) SLC6A2PTGS1KMT2AHIF1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4244969-A (P-HYDROXYPHENOXY)PROPANOLAMINE DERIVATIVES USEFUL AS B-RECEPTOR STIMULANTS AKTIEBOLAGET HASSLE (SE) 1981-01-13 US claimed
US-4336267-A Heart active compounds and methods of use AKTIEBOLAGET HASSLE (SE) 1982-06-22 US disclosed
US-4244969-A (P-HYDROXYPHENOXY)PROPANOLAMINE DERIVATIVES USEFUL AS B-RECEPTOR STIMULANTS AKTIEBOLAGET HASSLE (SE) 1981-01-13 US disclosed