SCHEMBL724846

SCHEMBL724846

CC(COCC(=O)O)(COCC(=O)O)COCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CTH P32929 1/20 0.38
CBS P35520 1/20 0.38
THPO P40225 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
PTGS1 P23219 1/20 0.34
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32
FFAR3 O14843 1/20 0.32
LATS1 O95835 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8875863 0.88 TSHR (0.33) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL10287431 0.88 PTGS1 (0.35) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL18636078 0.86 PTGS1 (0.34) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL703051 0.84 TSHR (0.38) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL24442271 0.82 TSHR (0.31) TSHRCTHCBSTHPOTHRB
SCHEMBL24442121 0.82 TSHR (0.31) TSHRCTHCBSTHPOTHRB
SCHEMBL24441364 0.82 TSHR (0.31) TSHRCTHCBSTHPOTHRB
SCHEMBL9487865 0.80 TSHR (0.40) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL31232468 0.80 ALDH1A1 (0.32) ELANEALDH1A1
SCHEMBL20908742 0.80 PAM (0.42) TSHRHSD17B10FFAR1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4219672-A Ether carboxylic acids HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1980-08-26 US claimed
EP-1541700-B1 METHOD OF GRANULATING SINTERING MATERIAL FOR IRON MANUFACTURING NIPPON STEEL CORP (JP) 2012-02-29 EP disclosed
EP-1541700-A1 METHOD OF GRANULATING SINTERING MATERIAL FOR IRON MANUFACTURING NIPPON STEEL CORPORATION (JP) 2005-06-15 EP disclosed
US-4219672-A Ether carboxylic acids HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1980-08-26 US disclosed
US-4153726-A Skin protection agents containing polyethercarboxylic acids HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-05-08 US disclosed