SCHEMBL13601646

SCHEMBL13601646

Cc1ccc(C2(c3ccc(O)cc3)CCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.79
ESR2 Q92731 5/20 0.79
ACHE P22303 2/20 0.54
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD11B1 P28845 4/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD11B2 P80365 3/20 0.42
OPRM1 P35372 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL822829 0.98 ESR1 (0.80) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL12893281 0.98 ESR1 (0.80) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL120895 0.89 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL12755223 0.88 ESR1 (0.65) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL9838333 0.87 ESR2 (0.95) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL13379657 0.87 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL13379655 0.87 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL10777847 0.87 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL13379656 0.87 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL2131554 0.87 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078325-B2 Method of preparing polyurethanes from oligomeric polyol compositions and polyisocyanates PRESIDIUM USA, INC (US) 2021-08-03 US disclosed
US-11072680-B2 Composition comprising oligomeric polyol compositions and polyisocyanates PRESIDIUM USA, INC. (US) 2021-07-27 US disclosed
US-20190241699-A1 Method of Preparing Polyurethanes From Oligomeric Polyol Compositions and Polyisocyanates PRESIDIUM INNOVATIONS, LLC 2019-08-08 US disclosed
US-7632466-B2 Ultraphobic surface structure having a plurality of hydrophilic areas QIAGEN GMBH (DE) 2009-12-15 US disclosed