SCHEMBL3944079

SCHEMBL3944079

CC(C)(C)[N+]1(C(=O)[O-])C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1COCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 1/20 0.32
NT5E P21589 1/20 0.32
AGTR2 P50052 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
PTPN1 P18031 1/20 0.30
EPHX2 P34913 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL3954707 0.86 TDP1 (0.32)
SCHEMBL3948722 0.83 AGTR2 (0.35) ACHELMNANT5EAGTR2PTPN1
SCHEMBL3949496 0.83 PPM1D (0.31)
SCHEMBL3944118 0.81 TRPM8 (0.35) ACHETAAR1LMNANT5EAGTR2
SCHEMBL3954243 0.81
SCHEMBL3948575 0.78 PPM1D (0.31)
SCHEMBL3949518 0.78
SCHEMBL3947145 0.77 MAPT (0.34)
SCHEMBL3954716 0.77
SCHEMBL3944056 0.76 CAPN1 (0.33) ACHEAGTR2EPHX2

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-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO disclosed