SCHEMBL92118

SCHEMBL92118

CC1(C)CC(NC(=O)OCF)CC(C)(CN)C1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
PBK Q96KB5 1/20 0.37
EPHX1 P07099 1/20 0.32

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
SCHEMBL19444538 0.89 TSHR (0.58) TSHRPBKEPHX1
SCHEMBL15237110 0.87 TSHR (0.59) TSHREPHX1
SCHEMBL15237115 0.86 TSHR (0.56) TSHREPHX1
SCHEMBL92154 0.84 TSHR (0.64) TSHREPHX1
SCHEMBL18889827 0.84 TSHR (0.53) TSHRPBK
SCHEMBL14499089 0.84 TSHR (0.53) TSHRPBKEPHX1
SCHEMBL12394889 0.83 TSHR (0.84) TSHREPHX1
SCHEMBL1753416 0.83 TSHR (0.71) TSHREPHX1
SCHEMBL21635830 0.83 TSHR (0.50) TSHRPBK
SCHEMBL18889859 0.83 TSHR (0.52) TSHRPBK

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
US-8128393-B2 Methods and materials for fabricating laminate nanomolds and nanoparticles therefrom LIQUIDIA TECHNOLOGIES, INC. (US) 2012-03-06 US disclosed