SCHEMBL4607563

SCHEMBL4607563

CC(C)(CNC(=O)c1ccccc1O)Cc1ncccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MITF O75030 1/20 0.41
AGTR1 P30556 1/20 0.41
KMT2A Q03164 5/20 0.40
RAB9A P51151 1/20 0.40
ESRRG P62508 1/20 0.40
NAAA Q02083 1/20 0.38
HTT P42858 3/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 4/20 0.37
POLB P06746 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 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
SCHEMBL4606730 0.79 KMT2A (0.40) KDM4EMAPTL3MBTL1KMT2ARAB9A
SCHEMBL4608634 0.79 HPGD (0.47) KDM4EL3MBTL1KMT2ARAB9AESRRG
SCHEMBL4607163 0.75 MAPK1 (0.49) KDM4EMAPTL3MBTL1KMT2ARAB9A
SCHEMBL20538501 0.71 FEN1 (0.51)
SCHEMBL9676593 0.71 HPGD (0.51) KDM4EMAPTKMT2ARAB9AESRRG
SCHEMBL31704171 0.70 TRIM24 (0.41) KDM4EMAPTL3MBTL1KMT2ARAB9A
SCHEMBL20538704 0.69 FEN1 (0.60)
SCHEMBL4610234 0.69 ESRRG (0.47) MAPTKMT2ARAB9AESRRGNAAA
SCHEMBL17205426 0.68 CHRNB2 (0.44) KDM4EMAPTL3MBTL1KMT2AESRRG
SCHEMBL5981145 0.68 P2RX1 (0.50) KDM4EMAPTL3MBTL1KMT2ARAB9A

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
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed