SCHEMBL7500751

SCHEMBL7500751

COC(=O)C1C(=O)CCN(C(=O)OC(C)(C)C)C1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
KLK7 P49862 3/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
STS P08842 1/20 0.41
GHSR Q92847 3/20 0.39
PARP1 P09874 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
KLK5 Q9Y337 2/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3991382 0.88 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29997797 0.80 KLK7 (0.51) NR1H2NR1H3KLK7PSEN1PSEN2
SCHEMBL25697955 0.77 NR1H2 (0.47) NR1H2NR1H3KLK7STSGPR119
SCHEMBL29997742 0.77 NR1H2 (0.47) NR1H2NR1H3KLK7STSGPR119
SCHEMBL29997519 0.76 KLK7 (0.46) NR1H2NR1H3KLK7STSGPR119
SCHEMBL14417557 0.76 NR1H2 (0.46) NR1H2NR1H3KLK7STSGPR119
SCHEMBL29997998 0.76 NR1H2 (0.46) NR1H2NR1H3KLK7STSGPR119
SCHEMBL29997912 0.76 NR1H2 (0.46) NR1H2NR1H3KLK7STSGPR119
SCHEMBL582271 0.75 NR1H2 (0.53) NR1H2NR1H3KLK7STSPARP1
SCHEMBL15353299 0.75 NR1H2 (0.53) NR1H2NR1H3KLK7STSPARP1

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
EP-0869968-A1 GROWTH-HORMONE SECRETAGOGUES PFIZER INC. (US) 1998-10-14 EP disclosed
WO-1997024369-A1 GROWTH-HORMONE SECRETAGOGUES PFIZER INC. (US) 1997-07-10 WO disclosed