SCHEMBL7318214

SCHEMBL7318214

CCCCOCCOCc1ccc(OCC(O)CCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ ADRB3 P13945 1/20 0.51
▸ MAPK1 P28482 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ AR P10275 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SLCO1B3 Q9NPD5 1/20 0.46
▸ SLCO1B1 Q9Y6L6 1/20 0.46
▸ S1PR1 P21453 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ ALOX12 P18054 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
SCHEMBL5381741 0.84 ADRB2 (0.71) ADRB2ADRB1ADRB3MAPK1KMT2A
SCHEMBL7316789 0.81 ADRB2 (0.48) ADRB2ADRB1ADRB3MAPK1KMT2A
SCHEMBL7310711 0.80 ADRB2 (0.47) ADRB2ADRB1ADRB3MAPK1KMT2A
SCHEMBL16004487 0.79 AR (0.67) MAPK1KMT2AMEN1LMNAAR
SCHEMBL7313195 0.78 AR (0.43) ADRB2ADRB1ADRB3MAPK1KMT2A
SCHEMBL24948597 0.78 AR (0.56) ADRB2ADRB1ADRB3MAPK1KMT2A
SCHEMBL30781975 0.77 ADRB2 (0.52) ADRB2ADRB1ADRB3MAPK1KMT2A
SCHEMBL13191159 0.76 AR (0.67) MAPK1KMT2AMEN1LMNAAR
SCHEMBL12988346 0.76 AR (0.67) MAPK1KMT2AMEN1LMNAAR
SCHEMBL13190959 0.76 AR (0.67) MAPK1KMT2AMEN1LMNAAR

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-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
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