SCHEMBL3645973

SCHEMBL3645973

CCCCCCCC(CC(=O)O)S(=O)(=O)O.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.55
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 2/20 0.44
PPARD Q03181 5/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43
LCK P06239 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
TSHR P16473 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL8831498 0.98 GPR84 (0.56) GPR84FFAR1FFAR4PPARDMAPT
SCHEMBL27615119 0.98 GPR84 (0.56) GPR84FFAR1FFAR4PPARDMAPT
SCHEMBL8831538 0.98 GPR84 (0.56) GPR84FFAR1FFAR4PPARDMAPT
SCHEMBL15614011 0.98 GPR84 (0.56) GPR84FFAR1FFAR4PPARDMAPT
SCHEMBL1158131 0.98 GPR84 (0.56) GPR84FFAR1FFAR4PPARDMAPT
SCHEMBL8831646 0.98 GPR84 (0.56) GPR84FFAR1FFAR4PPARDMAPT
SCHEMBL10590558 0.91 GPR84 (0.46) GPR84FFAR1FFAR4TP53MMP1
SCHEMBL17219440 0.85 TP53 (0.52) GPR84FFAR1PPARDMAPTTP53
SCHEMBL9097776 0.85 TP53 (0.52) GPR84FFAR1PPARDMAPTTP53
SCHEMBL9660934 0.85 TP53 (0.52) GPR84FFAR1PPARDMAPTTP53

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
EP-2166838-B1 TOPICAL DENTAL SOLUTION OF CHLORHEXIDINE IN SUMATRA BENZOIN BP/EP AND METHODS OF MANUFACTURING AND EVALUATING SAME CHX TECH INC (CA) 2018-10-24 EP disclosed
EP-2166838-A2 TOPICAL DENTAL SOLUTION OF CHLORHEXIDINE IN SUMATRA BENZOIN BP/EP AND METHODS OF MANUFACTURING AND EVALUATING SAME CHX Technologies Inc. (CA) 2010-03-31 EP disclosed
WO-2008156559-A2 TOPICAL DENTAL SOLUTION OF CHLORHEXIDINE IN SUMATRA BENZOIN BP/EP AND METHODS OF MANUFACTURING AND EVALUATING SAME CHX TECHNOLOGIES, INC. (CA) 2008-12-24 WO disclosed