SCHEMBL13870580

SCHEMBL13870580

CCOC(=O)c1cc(F)c(OC)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.49
TSHR P16473 1/20 0.44
P2RX7 Q99572 1/20 0.44
PRKCZ Q05513 1/20 0.44
DPP4 P27487 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CA12 O43570 2/20 0.41

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
SCHEMBL13468491 0.86 KMT2A (0.54) HSD17B2TSHRDPP4LMNAMAPT
SCHEMBL14032887 0.85 KDM4E (0.47) LMNAMAPTMAPK1HTTRAB9A
SCHEMBL8133633 0.84 TSHR (0.52) TSHRLMNAMAPTMAPK1HTT
SCHEMBL13468453 0.82 HSD17B2 (0.62) HSD17B2TSHRDPP4LMNAMAPT
SCHEMBL13870579 0.82 CYP4F2 (0.43) HSD17B2TSHRP2RX7PRKCZDPP4
SCHEMBL17241781 0.81 KDM4E (0.53) HSD17B2TSHRPRKCZDPP4LMNA
SCHEMBL23112129 0.81 KDM4E (0.48) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL25152621 0.79 TSHR (0.46) TSHRLMNAMAPTHTTKMT2A
SCHEMBL20366895 0.79 HSD17B2 (0.62) HSD17B2TSHRDPP4LMNAMAPT
SCHEMBL16302043 0.78 TSHR (0.61) TSHRLMNAMAPTMAPK1MEN1

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 8 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-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