SCHEMBL7649605

SCHEMBL7649605

CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc(c6ccc(c2c36)C1=O)c54

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 4/20 0.43
▸ DPP4 P27487 4/20 0.43
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ KMT2A Q03164 7/20 0.35
▸ MEN1 O00255 6/20 0.35
▸ USP2 O75604 4/20 0.35
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 3/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ CASP7 P55210 2/20 0.32
▸ HBB P68871 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ BRD4 O60885 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32

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
SCHEMBL7646870 0.94 DPP4 (0.45) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL7648811 0.86 ANPEP (0.43) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL7649626 0.84 ANPEP (0.42) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL7646047 0.81 KMT2A (0.54) NR1H3KMT2AMEN1USP2POLB
SCHEMBL7650402 0.80 DPP4 (0.45) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL29369271 0.79 ANPEP (0.60) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL29461625 0.79 ANPEP (0.60) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL3438530 0.79 ANPEP (0.60) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL13478139 0.79 ANPEP (0.60) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL18071847 0.79 ANPEP (0.60) ANPEPDPP4NR1H2NR1H3KMT2A

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
WO-2002076045-A2 METHOD OF ALLOCATING A FILE AND SYSTEM FOR TRANSMITTING DATA TIMM OLAF (DE) 2002-09-26 — — WO disclosed
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