SCHEMBL8310697

SCHEMBL8310697

CCOC(=O)CCSc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 5/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 8/20 0.44
HPGD P15428 5/20 0.43
GAA P10253 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL24359522 0.84 GSTP1 (0.40) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL7589765 0.79 HPGD (0.40) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL4282866 0.77 ALDH1A1 (0.45) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL1532451 0.77 ALDH1A1 (0.55) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL31290457 0.76 KDM4E (0.44) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL9536332 0.75 L3MBTL1 (0.41) KDM4EPOLBKMT2AALDH1A1HPGD
SCHEMBL7344673 0.74 ALDH1A1 (0.61) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL64663 0.73 ALDH1A1 (0.51) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL10510818 0.73 KDM4E (0.44) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL13948871 0.72 MAPT (0.54) KDM4EPOLBMAPTKMT2AALDH1A1

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
EP-0583421-B1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1999-06-16 EP disclosed
EP-0512400-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use SEARLE & CO (US) 1998-12-02 EP disclosed
US-5576315-A Substituted dibenzoxazepine compounds and methods for treating osteoporosis and ischemia G.D. SEARLE & CO. (US) 1996-11-19 US disclosed
US-5464830-A ANALGESICS G. D. SEARLE & CO. (US) 1995-11-07 US disclosed
US-5378840-A Substituted dibenzoxazepine compounds G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0583421-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512400-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 EP disclosed