SCHEMBL11264601

SCHEMBL11264601

NC(=O)Nc1cc(O)cc(C(O)CNC2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ BCHE P06276 2/20 0.43
▸ ADRB2 P07550 5/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRB1 P08588 2/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ANPEP P15144 2/20 0.36
▸ ERAP2 Q6P179 2/20 0.36

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
Hydrochloric Acid SCHEMBL11256705 0.87 LMNA (0.50) KDM4EBCHEADRB2TSHRHIF1A
SCHEMBL11270863 0.80 KDM4E (0.52) KDM4EBCHEMEN1KMT2AALDH1A1
SCHEMBL11701217 0.78 ADRB2 (0.54) KDM4EBCHEADRB2TSHRHIF1A
SCHEMBL11263175 0.78 METAP2 (0.41) MEN1KMT2ALMNAMAPT
Bromide SCHEMBL11705716 0.77 ADRB2 (0.53) KDM4EBCHEADRB2TSHRHIF1A
SCHEMBL11264231 0.74 LMNA (0.66) KDM4EBCHEADRB2TSHRHIF1A
SCHEMBL19330018 0.70 KDM4E (0.63) KDM4EBCHEADRB2TSHRHIF1A
Hydrochloric Acid SCHEMBL11378737 0.69 KDM4E (0.51) KDM4EBCHEADRB1ADRB3MEN1
Acetic Acid SCHEMBL19330042 0.69 KDM4E (0.66) KDM4EBCHEADRB2HIF1AADRB1
SCHEMBL11263374 0.68 KDM4E (0.51) KDM4EBCHEMEN1KMT2ALMNA

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-4337272-A BRONCHODILATOR AGENTS VALEAS S. R. L. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1982-06-29 — — US disclosed
US-4252824-A BRONCHODILATOR AGENTS VALEAS S.R.L., INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1981-02-24 — — US disclosed
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