SCHEMBL13870592

SCHEMBL13870592

Cc1ccc2c(c1)COc1ccc(C=O)cc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
DHODH Q02127 1/20 0.41
METAP1 P53582 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 1/20 0.39
MAOB P27338 1/20 0.39
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7248564 0.83 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2RAB9ATDP1
SCHEMBL13870503 0.79 MAPK14 (0.59) ALDH1A1MAPTSMN1; SMN2RAB9ATDP1
SCHEMBL13870599 0.77 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2RAB9ATDP1
SCHEMBL8798148 0.77 ALDH1A1 (0.68) ALDH1A1MAPTSMN1; SMN2RAB9ATDP1
SCHEMBL2760390 0.76 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2RAB9ATDP1
SCHEMBL7346929 0.74 AKR1B1 (0.56) ALDH1A1MAPTSMN1; SMN2RAB9ATDP1
SCHEMBL15782103 0.73 MAPK14 (0.52) METAP1MAPK14MAOB
SCHEMBL6208874 0.73 HSD17B10 (0.52) ALDH1A1MAPTSMN1; SMN2RAB9ATDP1
SCHEMBL1467863 0.70 MAPT (0.58) ALDH1A1MAPTTDP1KDM4EGAA
SCHEMBL8773544 0.70 MMP12 (0.49) ALDH1A1MAPTSMN1; SMN2RAB9ATDP1

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