SCHEMBL11535960

SCHEMBL11535960

O=C(O)c1cc(C(O)CNCCCc2ccc(F)cc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.53
▸ ADRB1 P08588 10/20 0.53
▸ ADRB3 P13945 5/20 0.48
▸ ADRA1D P25100 3/20 0.47
▸ ADRA1A P35348 3/20 0.47
▸ ADRA1B P35368 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ THPO P40225 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ MTOR P42345 1/20 0.47

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
SCHEMBL11539909 0.82 ADRB2 (0.69) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11537605 0.80 ADRB1 (0.47) ADRB2ADRB1ADRB3ADRA1DADRA1A
Hydrochloric Acid SCHEMBL3713557 0.80 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL9753417 0.77 ADRB2 (0.68) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL29390491 0.77 PPARA (0.68) KMT2AALDH1A1RAB9A
SCHEMBL607642 0.77 PPARA (0.68) KMT2AALDH1A1RAB9A
SCHEMBL6682295 0.75 ADRB3 (0.56) ADRB1ADRB3
SCHEMBL6682291 0.75 ADRB3 (0.56) ADRB1ADRB3
SCHEMBL6681803 0.74 ADRB3 (0.55) ADRB1ADRB3
Arbutamine SCHEMBL7870502 0.74 ADRB2 (0.58) ADRB2ADRB1ADRB3ADRA1DADRA1A

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
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 — — US disclosed
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