SCHEMBL23680296

SCHEMBL23680296

CC(Cc1ccccc1)NC(=O)C(N)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ ANPEP P15144 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MMP1 P03956 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP9 P14780 1/20 0.44

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 1.00 PAX8 (0.49) PAX8TDP1MAPTCTSSCTSK
SCHEMBL3387924 0.88 PAX8 (0.53) PAX8TDP1MAPTCTSSCTSK
SCHEMBL17413437 0.88 REN (0.53) PAX8TDP1MAPTCTSSCTSK
SCHEMBL19861958 0.88 PAX8 (0.52) PAX8TDP1MAPTCTSSCTSK
SCHEMBL23680153 0.88 REN (0.53) PAX8TDP1MAPTCTSSCTSK
SCHEMBL7023649 0.88 MAPK1 (0.48) PAX8TDP1MAPTCTSSCTSK
SCHEMBL14637585 0.87 CTSK (0.55) PAX8TDP1MAPTCTSSCTSK
SCHEMBL10135741 0.87 CTSK (0.55) PAX8TDP1MAPTCTSSCTSK
SCHEMBL12214996 0.87 PAX8 (0.56) PAX8TDP1MAPTCTSSCTSK
SCHEMBL969253 0.86 PAX8 (0.53) PAX8TDP1MAPTCTSSCTSK

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-3160985-B1 PROCESS FOR THE PRODUCTION OF D-ARGINYL-2,6-DIMETHYL-L-TYROSYL-L-LYSYL-L-PHENYLALANINAMIDE FLAMMA SPA (IT) 2021-07-28 — — EP disclosed
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