SCHEMBL7301938

SCHEMBL7301938

CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]1COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.47
STS P08842 1/20 0.43
HCRTR2 O43614 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP4 P27487 1/20 0.39

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
SCHEMBL35210538 0.88 NR1H2 (0.42) KLK7STSJAK2JAK1PARP1
SCHEMBL31228337 0.87 KLK7 (0.46) KLK7STSHCRTR2GPR119JAK2
SCHEMBL31228493 0.87 KLK7 (0.46) KLK7STSHCRTR2GPR119JAK2
SCHEMBL31228495 0.87 KLK7 (0.46) KLK7STSHCRTR2GPR119JAK2
SCHEMBL30335837 0.87 L3MBTL1 (0.47) KLK7STSGPR119L3MBTL1
SCHEMBL31228705 0.86 KLK7 (0.48) KLK7STSHCRTR2GPR119JAK2
SCHEMBL31228339 0.86 KLK7 (0.46) KLK7STSHCRTR2GPR119JAK2
SCHEMBL31228447 0.86 KLK7 (0.48) KLK7STSHCRTR2GPR119JAK2
SCHEMBL29997998 0.85 NR1H2 (0.46) KLK7STSHCRTR2GPR119JAK2
SCHEMBL29997912 0.85 NR1H2 (0.46) KLK7STSHCRTR2GPR119JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed