SCHEMBL11526487

SCHEMBL11526487

CC(C)(C)C(=O)Oc1ccc(C(O)CN)cc1OC(=O)C(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
HIF1A Q16665 3/20 0.71
CYP3A4 P08684 2/20 0.71
ALDH1A1 P00352 1/20 0.71
ADRB2 P07550 3/20 0.69
NFKB1 P19838 3/20 0.50
BLM P54132 5/20 0.49
PMP22 Q01453 3/20 0.49
ELANE P08246 4/20 0.46
MAPT P10636 3/20 0.42
RECQL P46063 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ADRB3 P13945 3/20 0.42
HPGD P15428 2/20 0.42
APEX1 P27695 2/20 0.42
MAPK1 P28482 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42

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
SCHEMBL23339689 1.00 LMNA (0.71) LMNAHIF1ACYP3A4ALDH1A1ADRB2
SCHEMBL11264848 0.85 ALDH1A1 (0.71) LMNAHIF1ACYP3A4ALDH1A1ADRB2
SCHEMBL23318971 0.83 ALDH1A1 (0.56) LMNAHIF1ACYP3A4ALDH1A1ADRB2
Dipivefrin SCHEMBL20673238 0.83 HIF1A (1.00) LMNAHIF1ACYP3A4ALDH1A1ADRB2
Dipivefrin SCHEMBL29710905 0.83 HIF1A (1.00) LMNAHIF1ACYP3A4ALDH1A1ADRB2
Dipivefrin SCHEMBL24714 0.83 HIF1A (1.00) LMNAHIF1ACYP3A4ALDH1A1ADRB2
Dipivefrin SCHEMBL24713 0.83 HIF1A (1.00) LMNAHIF1ACYP3A4ALDH1A1ADRB2
Dipivefrin SCHEMBL41351 0.82 ADRB2 (1.00) LMNAHIF1ACYP3A4ALDH1A1ADRB2
SCHEMBL11275258 0.82 LMNA (0.78) LMNAHIF1ACYP3A4ALDH1A1ADRB2
Dipivefrin SCHEMBL41350 0.82 ADRB2 (1.00) LMNAHIF1ACYP3A4ALDH1A1ADRB2

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-4145441-A SYMPATHOMIMETIC AMINES EXHIBITING ANTI-HEMORRHOIDAL ACTIVITY INTERX RESEARCH CORPORATION (US) 1979-03-20 US claimed
US-4145441-A SYMPATHOMIMETIC AMINES EXHIBITING ANTI-HEMORRHOIDAL ACTIVITY INTERX RESEARCH CORPORATION (US) 1979-03-20 US disclosed