SCHEMBL13870599

SCHEMBL13870599

Cc1ccc2c(c1)COc1ccc(CO)cc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
AKR1B1 P15121 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL13870524 0.83 ALDH1A1 (0.67) ALDH1A1MAPTRAB9ASMN1; SMN2AKR1B1
SCHEMBL13870503 0.77 MAPK14 (0.59) ALDH1A1MAPTRAB9ASMN1; SMN2AKR1B1
SCHEMBL13870592 0.77 ALDH1A1 (0.45) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8798148 0.76 ALDH1A1 (0.68) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL2760390 0.75 ALDH1A1 (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL10373496 0.73 ALDH1A1 (0.63) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8797635 0.72 ALDH1A1 (0.62) ALDH1A1MAPTRAB9ASMN1; SMN2AKR1B1
SCHEMBL15782103 0.72 MAPK14 (0.52)
SCHEMBL13870561 0.72 ALDH1A1 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2AKR1B1
SCHEMBL10562210 0.72 MAPT (0.60) ALDH1A1MAPTRAB9ASMN1; SMN2AKR1B1

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-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-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed