SCHEMBL8655898

SCHEMBL8655898

O=C(O)CC(NCCCCCCNCCCO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
EPHX2 P34913 2/20 0.34
NOD1 Q9Y239 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
CPB2 Q96IY4 1/20 0.32
GNPAT O15228 1/20 0.31
MME P08473 2/20 0.31
PAOX Q6QHF9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8660075 0.95 CA2 (0.35) CA2CA4CPB2GNPATMME
SCHEMBL8658190 0.93 CA2 (0.34) CA2CA4EPHX2NOD1SUCNR1
SCHEMBL8657065 0.91 CA2 (0.35) CA2CA4SUCNR1CPB2GNPAT
SCHEMBL2910202 0.91 CA2 (0.39) CA2CA4CPB2GNPATMME
SCHEMBL2910205 0.91 CA2 (0.39) CA2CA4CPB2GNPATMME
SCHEMBL8658149 0.88 CA2 (0.35) CA2CA4GNPATMMETDP1
SCHEMBL6545327 0.87 CA2 (0.41) CA2CA4EPHX2NOD1GNPAT
SCHEMBL6544613 0.87 CA2 (0.41) CA2CA4EPHX2NOD1GNPAT
SCHEMBL2133501 0.87 CA2 (0.41) CA2CA4EPHX2NOD1GNPAT
SCHEMBL8661657 0.86 EPHX2 (0.36) CA2CA4EPHX2NOD1GNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871695-A2 POLYAMINO MONOSUCCINIC ACID DERIVATIVE DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1998-10-21 EP disclosed
WO-1997008287-A2 POLYAMINO MONOSUCCINIC ACID DERIVATIVE DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1997-03-06 WO disclosed