SCHEMBL11053289

SCHEMBL11053289

CNCC(OC(=O)C(C)(C)C)c1ccc(O)c(OC(=O)C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 2/20 0.58
LMNA P02545 1/20 0.58
ADRB2 P07550 4/20 0.57
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 3/20 0.38
TSHR P16473 3/20 0.38
BLM P54132 3/20 0.38
SLC6A2 P23975 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ELANE P08246 5/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL23337944 0.90 ALDH1A1 (0.72) HIF1AALDH1A1CYP3A4LMNAADRB2
Hydrochloric Acid SCHEMBL3226575 0.87 ADRB2 (0.48) HIF1AALDH1A1CYP3A4LMNAADRB2
Hydrochloric Acid SCHEMBL3225356 0.85 ADRB2 (0.46) HIF1AALDH1A1CYP3A4LMNAADRB2
SCHEMBL10481814 0.85 HIF1A (0.81) HIF1AALDH1A1CYP3A4LMNAADRB2
SCHEMBL31748897 0.85 HIF1A (0.81) HIF1AALDH1A1CYP3A4LMNAADRB2
Hydrochloric Acid SCHEMBL3217859 0.83 ADRB2 (0.45) HIF1AALDH1A1CYP3A4LMNAADRB2
SCHEMBL7394383 0.79 ADRB2 (0.43) HIF1AALDH1A1CYP3A4LMNAADRB2
SCHEMBL13920805 0.76 ALDH1A1 (0.50) HIF1AALDH1A1CYP3A4LMNAADRB2
Dipivefrin SCHEMBL6422300 0.76 HIF1A (0.86) HIF1AALDH1A1CYP3A4LMNAADRB2
SCHEMBL11293188 0.76 HIF1A (0.62) HIF1AALDH1A1CYP3A4LMNAADRB2

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-4479967-A TOPICAL CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
EP-0105840-A1 Ophthalmic preparation DISPERSA AG (CH) 1984-04-18 EP disclosed