SCHEMBL7203741

SCHEMBL7203741

CCCCCCCCCCC(O)C(=O)O.CNCCS(=O)(=O)O.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.60
FFAR1 O14842 2/20 0.60
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
EPHX2 P34913 1/20 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
EPHX1 P07099 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
FAAH O00519 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
SCHEMBL7196550 0.97 GPR84 (0.60) GPR84FFAR1S1PR2S1PR4S1PR1
Monoethanolamine SCHEMBL7199812 0.91 GPR84 (0.53) GPR84FFAR1S1PR2S1PR4S1PR1
Sulfuric Acid SCHEMBL25342033 0.81 GPR84 (0.84) GPR84FFAR1S1PR2S1PR4S1PR1
SCHEMBL6755115 0.80 EPHX2 (0.53) S1PR2S1PR4S1PR1S1PR3EPHX2
SCHEMBL10213509 0.79 GPR84 (0.61) GPR84FFAR1S1PR2S1PR4S1PR1
SCHEMBL1219737 0.79 GPR84 (0.95) GPR84FFAR1S1PR2S1PR4S1PR1
SCHEMBL27595195 0.79 GPR84 (0.95) GPR84FFAR1S1PR2S1PR4S1PR1
SCHEMBL27701227 0.79 GPR84 (0.95) GPR84FFAR1S1PR2S1PR4S1PR1
SCHEMBL28488627 0.79 GPR84 (0.95) GPR84FFAR1S1PR2S1PR4S1PR1
Dodecanoate SCHEMBL7191490 0.79 GPR84 (0.55) GPR84FFAR1EPHX2MAPTPPARD

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-6602848-B2 Contains alkali metal N-methyltaurate, alkali metal taurate or alkali metal hypotaurate salt of specific organic acid or organic alkali N-methyltaurate, organic alkali taurate or organic alkali hypotaurate salt of specific organic acid SHISEIDO COMPANY, LTD. (JP) 2003-08-05 US disclosed
US-6355608-B1 DETERGENT COMPOSITION COMPRISING AQUEOUS SOLUTION OF ALKALI METAL N-METHYLTAURATE SALT OF FATTY ACID, IN CONCENTRATION OF AT LEAST 50 MOLE PERCENT BASED ON TOTAL MOLES OF ALKALI METAL SALT OF FATTY ACID PRESENT SHISEIDO CO., LTD. (JP) 2002-03-12 US disclosed
US-6344435-B1 Detergent composition SHISEIDO CO., LTD. (JP) 2002-02-05 US disclosed