SCHEMBL11393589

SCHEMBL11393589

CCOc1ccc(OCC)c(CC(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.55
▸ MTNR1A P48039 1/20 0.50
▸ MTNR1B P49286 1/20 0.50
▸ EPHX1 P07099 1/20 0.49
▸ SQSTM1 Q13501 1/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.42

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
SCHEMBL326803 0.82 NQO1 (0.52) KDM4EMTNR1AMTNR1BEPHX1TSHR
SCHEMBL21605387 0.82 KDM4E (0.50) KDM4EMTNR1AEPHX1SQSTM1KEAP1
SCHEMBL19289929 0.82 KDM4E (0.49) KDM4ESQSTM1KEAP1NFE2L2L3MBTL1
SCHEMBL10725887 0.80 KDM4E (0.47) KDM4ESQSTM1KEAP1NFE2L2TSHR
SCHEMBL11396070 0.79 SMN1; SMN2 (0.50) KDM4EEPHX1HSD17B10L3MBTL1LMNA
SCHEMBL3742706 0.79 KDM4E (0.49) KDM4EMTNR1AMTNR1BEPHX1TSHR
SCHEMBL7666973 0.79 KDM4E (0.49) KDM4EMTNR1AMTNR1BEPHX1TSHR
SCHEMBL30072284 0.79 KDM4E (0.49) KDM4EMTNR1AMTNR1BEPHX1TSHR
SCHEMBL28747044 0.79 KDM4E (0.50) KDM4EMTNR1ASQSTM1KEAP1NFE2L2
SCHEMBL11451411 0.78 KDM4E (0.49) KDM4EMTNR1AMTNR1BEPHX1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4288608-A Synthesis of anthracyclines RESEARCH CORPORATION (US) 1981-09-08 — — US disclosed
US-4196127-A INTERMEDIATES FOR DAUNOMYCIN ANTIBIOTICS, ANTITUMOR RESEARCH CORPORATION (US) 1980-04-01 — — US disclosed
EP-0007400-A1 Anthracene derivatives useful as intermediates in the preparation of daunomycinones Research Corporation (US) 1980-02-06 — — EP disclosed
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