SCHEMBL13870524

SCHEMBL13870524

O=C1c2ccccc2COc2ccc(CO)cc21

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
MAPT P10636 3/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
AKR1B1 P15121 1/20 0.58

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
SCHEMBL10373496 0.89 ALDH1A1 (0.63) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9218391 0.86 ALDH1A1 (0.60) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8797635 0.85 ALDH1A1 (0.62) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL10843104 0.85 ALDH1A1 (0.62) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
Isoxepac SCHEMBL24970 0.85 AKR1B1 (0.81) ALDH1A1MAPTRAB9AAKR1B1
Isoxepac SCHEMBL29588437 0.85 AKR1B1 (0.81) ALDH1A1MAPTRAB9AAKR1B1
SCHEMBL12796661 0.83 ALDH1A1 (0.63) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9219969 0.83 AKR1B1 (0.63) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL13870599 0.83 ALDH1A1 (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL342988 0.83 AKR1B1 (0.63) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E

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