SCHEMBL21242136

SCHEMBL21242136

O=C(O)CC(NCC1CCC(CNC(CC(=O)O)C(=O)O)CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MME P08473 2/20 0.37
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL30524563 0.98 CA2 (0.37) CA2CA4TDP1MMEF2
SCHEMBL25902329 0.90 SAT1 (0.40) CA2CA4TDP1MMEF2
SCHEMBL8027271 0.81 KMT2A (0.48)
SCHEMBL383310 0.80 TDP1 (0.42) TDP1GRNSORT1SIGMAR1
SCHEMBL5397395 0.80 KDM4E (0.44) CA2TDP1GRNSORT1SMN1; SMN2
SCHEMBL31717003 0.76 TDP1 (0.34) TDP1GRNSORT1SIGMAR1
SCHEMBL22412993 0.74 NOD1 (0.41) CA2MME
SCHEMBL2249648 0.74 KMT2A (0.41) CA2TDP1
SCHEMBL15637714 0.73 CA2 (0.45) CA2CA4TDP1MMESMN1; SMN2
SCHEMBL414800 0.73 CA2 (0.45) CA2CA4TDP1MMESMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713435-B2 Aminocarboxylate chelating agents and detergent compositions containing them EASTMAN CHEMICAL COMPANY (US) 2023-08-01 US disclosed
US-20210047590-A1 AMINOCARBOXYLATE CHELATING AGENTS AND COMPOSITIONS CONTAINING THEM EASTMAN CHEMICAL COMPANY (US) 2021-02-18 US disclosed
WO-2019152208-A1 COMPOSITIONS COMPRISING AMINOCARBOXYLATE CHELATING AGENTS EASTMAN CHEMICAL COMPANY (US) 2019-08-08 WO disclosed