SCHEMBL11024513

SCHEMBL11024513

CCOC(=O)CCCc1ccc(OCC(O)CN)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP4Z1 Q86W10 1/20 0.47
▸ CYP4F11 Q9HBI6 1/20 0.47
▸ CYP4F12 Q9HCS2 1/20 0.47
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ SMN1; SMN2 Q16637 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
SCHEMBL11020122 0.83 ADRB2 (0.69) ADRB2ADRB1NPSR1TDP1
SCHEMBL11023789 0.82 CYP4Z1 (0.45) CYP4Z1CYP4F11CYP4F12ADRB2ADRB1
SCHEMBL11021128 0.79 CYP4Z1 (0.49) CYP4Z1CYP4F11CYP4F12ADRB2ADRB1
SCHEMBL11021132 0.79 CYP4Z1 (0.49) CYP4Z1CYP4F11CYP4F12ADRB2ADRB1
SCHEMBL12548347 0.78 CYP4Z1 (0.58) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL10463270 0.78 CYP1A2 (0.65) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL10463522 0.78 CYP1A2 (0.59) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL1239542 0.77 ALOX5 (0.65) KMT2ACYP4Z1CYP4F11CYP4F12CYP4F2
Hydrochloric Acid SCHEMBL11489404 0.77 CYP1A2 (0.58) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL11479609 0.77 CYP4Z1 (0.57) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041491-B1 NEW PARA-SUBSTITUTED 3-PHENOXY-1-ALKYLAMINO-PROPANOL-2-S HAVING BETA RECEPTOR BLOCKING PROPERTIES Aktiebolaget Hässle (SE) 1985-01-30 — — EP disclosed
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