SCHEMBL13870541

SCHEMBL13870541

O=C(O)c1ccccc1COc1ccc(CCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.56
FFAR4 Q5NUL3 10/20 0.56
FOLH1 Q04609 1/20 0.52
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
AKR1B1 P15121 1/20 0.51

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
SCHEMBL8486270 0.92 LTA4H (0.64) FFAR1FFAR4FOLH1LTA4HEPHX2
SCHEMBL10608032 0.89 LTA4H (0.57) FFAR1FFAR4FOLH1LTA4HEPHX2
SCHEMBL10689361 0.87 FFAR1 (0.71) FFAR1FFAR4AKR1B1
Hydrochloric Acid SCHEMBL6157166 0.86 MAOB (0.63) FFAR1FFAR4FOLH1TP53HTT
SCHEMBL3997587 0.85 FFAR1 (0.50) FFAR1FFAR4AKR1B1
SCHEMBL11621301 0.85 FFAR1 (0.60) FFAR1FFAR4AKR1B1
SCHEMBL1368181 0.84 TP53 (0.63) FOLH1TP53HTT
SCHEMBL2552269 0.84 FOLH1 (0.53) FFAR1FFAR4FOLH1TP53HTT
SCHEMBL5989548 0.84 RXRA (0.59) FFAR1FFAR4FOLH1TP53HTT
SCHEMBL4002167 0.83 FFAR1 (0.55) FFAR1FFAR4FOLH1LTA4HEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed