SCHEMBL7724633

SCHEMBL7724633

CCCCNC(=O)C(O[Si](C)(C)C(C)(C)C)C(CC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
DPP7 Q9UHL4 2/20 0.39
RRM1 P23921 1/20 0.37
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
ACHE P22303 7/20 0.33
LMNA P02545 1/20 0.33
PAX8 Q06710 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33

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
SCHEMBL7719994 0.76 ACHE (0.38) USP2DPP7RRM1ACHE
SCHEMBL7720001 0.75 LMNA (0.48) LMNAPAX8
SCHEMBL7725797 0.72 ACHE (0.34) USP2DPP7RRM1CA2ACHE
SCHEMBL7725791 0.72 ACHE (0.34) USP2DPP7RRM1CA2ACHE
SCHEMBL9819777 0.72 METAP2 (0.56)
SCHEMBL11692574 0.70 USP2 (0.69) USP2DPP7RRM1CA2CA1
SCHEMBL7724600 0.69 CYP2C9 (0.51) MMP8LMNAPAX8
SCHEMBL7720015 0.68 HPGD (0.43) LMNAPAX8
SCHEMBL5491789 0.68 USP2 (0.71) USP2DPP7RRM1CA2CA1
SCHEMBL7725838 0.68 GAA (0.44) USP2LMNAPAX8

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-6403818-B1 ONE POT PROCESS STARTING FROM CARBONYL COMPOUND, ALCOHOL, THIOL OR AMINE, AND PROTECTED HYDROXYDICYANO COMPOUND EISAI CO., LTD. (JP) 2002-06-11 US disclosed