SCHEMBL21272736

SCHEMBL21272736

CCCCCCCCCCC(C(=O)C(CCCCCCCCCC)S(=O)(=O)O)S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 2/20 0.44
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CA2 P00918 1/20 0.41
RECQL P46063 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
FDPS P14324 3/20 0.39

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
SCHEMBL19712174 0.98 TP53 (0.48) TP53GPR84FFAR1MAPTLCK
SCHEMBL27286762 0.86 GPR84 (0.52) TP53GPR84FFAR1MAPTLCK
SCHEMBL3932124 0.86 GPR84 (0.52) TP53GPR84FFAR1MAPTLCK
SCHEMBL7608048 0.86 TP53 (0.46) TP53GPR84FFAR1MAPTLCK
SCHEMBL2123675 0.86 GPR84 (0.52) TP53GPR84FFAR1MAPTLCK
SCHEMBL66701 0.86 GPR84 (0.52) TP53GPR84FFAR1MAPTLCK
SCHEMBL27276623 0.86 GPR84 (0.52) TP53GPR84FFAR1MAPTLCK
SCHEMBL8022643 0.86 GPR84 (0.52) TP53GPR84FFAR1MAPTLCK
SCHEMBL28238212 0.85 GPR84 (0.50) TP53GPR84FFAR1MAPTLCK
SCHEMBL3495263 0.84 GPR84 (0.53) TP53GPR84FFAR1MAPTLCK

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-10869824-B2 Aqueous surfactant compositions BASF SE (DE) 2020-12-22 US disclosed
US-20190254946-A1 AQUEOUS SURFACTANT COMPOSITIONS BASF PERSONAL CARE AND NUTRITION GMBH (DE) 2019-08-22 US disclosed