SCHEMBL13870529

SCHEMBL13870529

COC(=O)c1ccccc1COc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.50
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 3/20 0.47
PTPN1 P18031 1/20 0.47
TSHR P16473 1/20 0.46
MAPK10 P53779 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 2/20 0.46
CAPN1 P07384 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL7274960 0.86 TSHR (0.51) OPRL1ALDH1A1SMN1; SMN2CYP1A2HSP90AA1
SCHEMBL31123658 0.85 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL2556246 0.84 ALDH1A1 (0.54) OPRL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL15286510 0.84 ALDH1A1 (0.51) OPRL1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL5989500 0.83 NPC1 (0.56) OPRL1ALDH1A1SMN1; SMN2HSP90AA1MAPT
SCHEMBL6158837 0.83 ALDH1A1 (0.54) ALDH1A1CYP1A2HSP90AA1MAPTHPGD
SCHEMBL3134818 0.83 SLC6A3 (0.52) OPRL1ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL6965429 0.82 MAOB (0.65) ALDH1A1SMN1; SMN2MAPTLMNAPTPN1
SCHEMBL13888776 0.81 KDM4E (0.47) OPRL1ALDH1A1SMN1; SMN2KDM4EPTPN1
SCHEMBL2801838 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HSP90AA1MAPTHPGD

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
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-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-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