SCHEMBL20130869

SCHEMBL20130869

Cc1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.44
▸ ANPEP P15144 5/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ ELANE P08246 1/20 0.34

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
SCHEMBL29357723 0.94 ANPEP (0.49) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL902459 0.94 ANPEP (0.49) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL24012211 0.91 ANPEP (0.46) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL19525798 0.90 ANPEP (0.45) DPP4ANPEPNR1H2NR1H3LMNA
SCHEMBL11947512 0.89 ANPEP (0.44) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL13498707 0.88 DPP4 (0.46) DPP4ANPEPALDH1A1MAPTMEN1
SCHEMBL12055787 0.88 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL24011907 0.88 DPP4 (0.45) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL12055783 0.88 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL24314183 0.88 ANPEP (0.49) DPP4ANPEPNR1H2NR1H3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180128719-A1 STAINING AGENT FOR STAINING TISSUE, PRODUCTION METHOD FOR STAINING AGENT FOR STAINING TISSUE AND TISSUE STAINING KIT INCLUDING STAINING AGENT FOR STAINING TISSUE KONICA MINOLTA INC (JP) 2018-05-10 — — US disclosed
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