SCHEMBL7312116

SCHEMBL7312116

COCCOCc1ccccc1OCC(O)CNCCc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ADRB2 P07550 7/20 0.51
ADRB1 P08588 6/20 0.51
ADRB3 P13945 4/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7315388 0.85 ADRB2 (0.58) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL7315445 0.85 ADRB3 (0.56) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL7312955 0.85 ADRB2 (0.57) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL7311030 0.84 ADRB3 (0.55) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL7314435 0.84 ADRB3 (0.55) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL7317896 0.84 ADRB2 (0.56) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL7309456 0.83 ADRB3 (0.60) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL7319624 0.83 KMT2A (0.56) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL7305119 0.81 KMT2A (0.50) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL7311212 0.78 ADRB2 (0.60) KMT2AMEN1ADRB2ADRB1ADRB3

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-4171370-A Phenoxy-amino-propanols MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-10-16 US claimed
US-4258062-A ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-03-24 US disclosed
US-4171370-A Phenoxy-amino-propanols MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-10-16 US disclosed