SCHEMBL6601186

SCHEMBL6601186

CCOC(=O)c1nnc([C@@H](Cc2ccccc2)NCC(=O)OC(C)(C)C)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
ALDH1A1 P00352 7/20 0.50
NPSR1 Q6W5P4 6/20 0.49
HPGD P15428 5/20 0.49
HTT P42858 5/20 0.49
LMNA P02545 5/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 4/20 0.49
PKM P14618 3/20 0.49
TP53 P04637 3/20 0.49
AGTR1 P30556 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
XBP1 P17861 2/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
JAK2 O60674 3/20 0.45
S1PR4 O95977 1/20 0.45
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL27525259 0.89 ALDH1A1 (0.53) TSHRALDH1A1NPSR1HPGDHTT
SCHEMBL6601182 0.77 TSHR (0.44) TSHRALDH1A1NPSR1HPGDHTT
SCHEMBL20397848 0.77 TSHR (0.57) TSHRALDH1A1NPSR1HPGDHTT
SCHEMBL20415706 0.77 TSHR (0.57) TSHRALDH1A1NPSR1HPGDHTT
SCHEMBL7439390 0.74 ITGA4 (0.53) MAPTTP53KMT2AMEN1TDP1
SCHEMBL6600210 0.74 ITGA4 (0.53) MAPTTP53KMT2AMEN1TDP1
SCHEMBL7439396 0.74 ITGA4 (0.53) MAPTTP53KMT2AMEN1TDP1
SCHEMBL4022466 0.71 ITGA4 (0.58) ALDH1A1LMNAHSD17B10MAPTKMT2A
SCHEMBL4022463 0.71 ITGA4 (0.58) ALDH1A1LMNAHSD17B10MAPTKMT2A
SCHEMBL6440329 0.71 ITGA4 (0.58) ALDH1A1LMNAHSD17B10MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805816-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-07-28 EP disclosed
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed