SCHEMBL19590904

SCHEMBL19590904

COC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)C(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
FOLH1 Q04609 1/20 0.42
SIGMAR1 Q99720 1/20 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
SCHEMBL3000798 0.90 FOLH1 (0.44) DPP4FOLH1
SCHEMBL6858941 0.90 FOLH1 (0.44) DPP4FOLH1
SCHEMBL27299124 0.87 ALDH1A1 (0.46) FOLH1
SCHEMBL27299235 0.83 MEN1 (0.46) SIGMAR1
SCHEMBL19605901 0.82 FOLH1 (0.45) DPP4FOLH1
SCHEMBL10060136 0.82 FOLH1 (0.45) DPP4FOLH1
SCHEMBL16645333 0.82 L3MBTL1 (0.45) DPP4FOLH1
SCHEMBL19447720 0.82 L3MBTL1 (0.45) DPP4FOLH1
SCHEMBL16645337 0.82 L3MBTL1 (0.45) DPP4FOLH1
SCHEMBL23504903 0.81 FOLH1 (0.43) DPP4FOLH1

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-9818588-B2 Method and arrangement for the control of measuring systems, corresponding computer program and corresponding computer-readable storage medium THERMO FISHER SCIENTIFIC (BREMEN) GMBH (DE) 2017-11-14 US disclosed