SCHEMBL7023649

SCHEMBL7023649

CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ CTSS P25774 2/20 0.46
▸ CTSK P43235 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ ANPEP P15144 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ MMP1 P03956 1/20 0.43

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
SCHEMBL12947605 0.88 PAX8 (0.49) MAPK1PAX8TDP1ATMMAPT
SCHEMBL23680296 0.88 PAX8 (0.49) MAPK1PAX8TDP1ATMMAPT
SCHEMBL3387924 0.87 PAX8 (0.53) MAPK1PAX8TDP1ATMMAPT
SCHEMBL19861958 0.86 PAX8 (0.52) MAPK1PAX8TDP1MAPTCTSS
SCHEMBL23680153 0.86 REN (0.53) MAPK1PAX8TDP1MAPTCTSS
SCHEMBL17413437 0.86 REN (0.53) MAPK1PAX8TDP1MAPTCTSS
SCHEMBL12214996 0.85 PAX8 (0.56) MAPK1PAX8TDP1ATMMAPT
SCHEMBL17232586 0.84 PAX8 (0.53) PAX8TDP1MAPTCTSSCTSK
SCHEMBL17254230 0.84 PAX8 (0.53) PAX8TDP1MAPTCTSSCTSK
SCHEMBL1755615 0.84 TDP1 (0.61) PAX8TDP1ATMMAPTCA1

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
EP-1275657-A1 PEPTIDE DERIVATIVES AND MEDICINAL COMPOSITIONS Nippon Shinyaku Co., Ltd. (JP) 2003-01-15 — — EP disclosed
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