SCHEMBL4660873

SCHEMBL4660873

COc1ccc(C(CCO)c2ccc(O)cc2O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.54
ACHE P22303 3/20 0.54
BCHE P06276 2/20 0.54
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
TNF P01375 1/20 0.43
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
F2 P00734 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC22A1 O15245 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 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
SCHEMBL4661020 0.92 BCHE (0.65) TYRACHEBCHECYP3A4TSHR
SCHEMBL4660948 0.89 TYR (0.57) TYRACHEBCHEPPARGPPARD
SCHEMBL30059496 0.86 BCHE (0.54) TYRACHEBCHEPPARGPPARD
SCHEMBL28970029 0.86 BCHE (0.54) TYRACHEBCHEPPARGPPARD
SCHEMBL4660955 0.83 TYR (0.53) TYRACHEBCHEPPARGCYP3A4
SCHEMBL4659816 0.81 TYR (0.45) TYRACHEBCHETSHRMAOB
SCHEMBL4659788 0.80 BCHE (0.56) TYRACHEBCHEPPARGPPARD
SCHEMBL4659818 0.80 TYR (0.42) TYRACHEBCHECYP3A4TSHR
SCHEMBL21830553 0.80 TYR (0.63) TYRACHEBCHECYP3A4TSHR
SCHEMBL29492396 0.80 TYR (0.63) TYRACHEBCHECYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748767-A4 DIARYLALKANES AS POTENT INHIBITORS OF BINUCLEAR ENZYMES UNIGEN PHARMACEUTICALS INC (US) 2008-12-24 EP claimed
EP-1748767-A1 DIARYLALKANES AS POTENT INHIBITORS OF BINUCLEAR ENZYMES Unigen Pharmaceuticals, Inc. (US) 2007-02-07 EP claimed
WO-2005117849-A1 DIARYLALKANES AS POTENT INHIBITORS OF BINUCLEAR ENZYMES UNIGEN PHARMACEUTICALS, INC. (US) 2005-12-15 WO claimed
CN-109134205-A Diaryl alkane as binuclear enzymes potent inhibitor 尤尼根公司 2019-01-04 CN disclosed
EP-1748767-A4 DIARYLALKANES AS POTENT INHIBITORS OF BINUCLEAR ENZYMES UNIGEN PHARMACEUTICALS INC (US) 2008-12-24 EP disclosed
EP-1748767-A1 DIARYLALKANES AS POTENT INHIBITORS OF BINUCLEAR ENZYMES Unigen Pharmaceuticals, Inc. (US) 2007-02-07 EP disclosed
WO-2005117849-A1 DIARYLALKANES AS POTENT INHIBITORS OF BINUCLEAR ENZYMES UNIGEN PHARMACEUTICALS, INC. (US) 2005-12-15 WO disclosed