SCHEMBL3827255

SCHEMBL3827255

CCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(C(=O)[O-])C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
CA1 P00915 2/20 0.43
ACE2 Q9BYF1 1/20 0.40
GPR84 Q9NQS5 8/20 0.40
FFAR1 O14842 2/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL7718260 1.00 CA2 (0.45) CA2CA1ACE2GPR84FFAR1
SCHEMBL3823555 1.00 CA2 (0.45) CA2CA1ACE2GPR84FFAR1
SCHEMBL278213 0.87 TSHR (0.36) CA2CA1
SCHEMBL2862738 0.86 SOAT1 (0.39) CA2GPR84FFAR1PPARDFFAR4
SCHEMBL8692682 0.84 CA2 (0.47) CA2CA1ACE2GPR84FFAR1
SCHEMBL97487 0.81 CA2 (0.41) CA2CA1ACE2GPR84FFAR1
SCHEMBL7752126 0.81 CA2 (0.41) CA2CA1ACE2GPR84FFAR1
SCHEMBL98813 0.81 CA2 (0.41) CA2CA1ACE2GPR84FFAR1
Acetic Acid SCHEMBL6705014 0.81 CA2 (0.41) CA2CA1ACE2GPR84FFAR1
SCHEMBL97027 0.81 CA2 (0.41) CA2CA1ACE2GPR84FFAR1

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
US-20090057618-A1 Corrosion inhibitors containing amphoteric surfactants CLARIANT INTERNATIONAL LTD. 2009-03-05 US disclosed
EP-2031092-A2 Corrosion inhibitors containing amphoteric tensides Clariant International Ltd. (CH) 2009-03-04 EP disclosed