SCHEMBL9544087

SCHEMBL9544087

CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.49
TACR1 P25103 3/20 0.42
HCRTR2 O43614 1/20 0.42
RORC P51449 1/20 0.42
ABCB1 P08183 1/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SRC P12931 8/20 0.41

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
SCHEMBL20371559 0.88 HTRA1 (0.50) HTRA1TACR1HCRTR2RORCABCB1
SCHEMBL4206113 0.88 SRC (0.50) HTRA1TACR1HCRTR2RORCABCB1
SCHEMBL29035297 0.88 SRC (0.50) HTRA1TACR1HCRTR2RORCABCB1
SCHEMBL14555313 0.88 HTRA1 (0.50) HTRA1TACR1HCRTR2RORCABCB1
SCHEMBL1828470 0.88 SRC (0.50) HTRA1TACR1HCRTR2RORCABCB1
SCHEMBL27228989 0.88 SRC (0.50) HTRA1TACR1HCRTR2RORCABCB1
SCHEMBL1828471 0.88 SRC (0.50) HTRA1TACR1HCRTR2RORCABCB1
SCHEMBL4194648 0.88 SRC (0.50) HTRA1TACR1HCRTR2RORCABCB1
SCHEMBL20005947 0.83 HTRA1 (0.50) HTRA1TACR1HCRTR2RORCABCB1
SCHEMBL4200554 0.83 HCRTR2 (0.48) HTRA1TACR1HCRTR2RORCABCB1

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed