SCHEMBL16521972

SCHEMBL16521972

CC/N=c1\ccc2c(-c3ccccc3C(=O)O)c3cc(C)c(NCC)cc3oc-2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ USP2 O75604 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ABCB1 P08183 1/20 0.37
▸ CFTR P13569 1/20 0.36

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
SCHEMBL13310858 0.90 ABCB1 (0.41) KDM4EUSP2MAPTHPGDMEN1
SCHEMBL3626595 0.87 FTO (0.43) FTOKDM4EUSP2MAPTHPGD
SCHEMBL1095520 0.87 FTO (0.43) FTOKDM4EUSP2MAPTHPGD
SCHEMBL9915064 0.87 FTO (0.43) FTOKDM4EUSP2MAPTHPGD
Hydrochloric Acid SCHEMBL9638604 0.86 FTO (0.42) FTOKDM4EUSP2MAPTHPGD
Hydrochloric Acid SCHEMBL12492233 0.86 FTO (0.42) FTOKDM4EUSP2MAPTHPGD
SCHEMBL12056738 0.86 ABCB1 (0.43) FTOKDM4EUSP2MAPTHPGD
SCHEMBL6056224 0.86 ABCB1 (0.43) FTOKDM4EUSP2MAPTHPGD
SCHEMBL6056220 0.86 ABCB1 (0.43) FTOKDM4EUSP2MAPTHPGD
SCHEMBL12056751 0.85 FTO (0.38) FTOKDM4EUSP2MAPTHPGD

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-20160025716-A1 MULTISIGNAL LABELING REAGENTS AND PROCESSES AND USES THEREFOR Enzo Life Science, Inc., c/o Enzo Biochem, Inc. (US) 2016-01-28 — — US disclosed
US-20150056632-A1 FLUORESCENT DYES, FLUORESCENT DYE KITS, AND METHODS OF PREPARING LABELED MOLECULES BIOTIUM, INC. (US) 2015-02-26 — — US disclosed
US-20150056632-A1 FLUORESCENT DYES, FLUORESCENT DYE KITS, AND METHODS OF PREPARING LABELED MOLECULES BIOTIUM, INC. (US) 2015-02-26 — — US disclosed
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