SCHEMBL7064394

SCHEMBL7064394

CC(OC(=O)C(CCOS(C)(=O)=O)OS(C)(=O)=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
LPAR1 Q92633 1/20 0.33
FFAR1 O14842 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7066213 0.82 HCAR2 (0.38) HCAR2CHRM2CHRM4CHRM1CHRM3
SCHEMBL7067266 0.80 ATM (0.39) ALDH1A1CYP3A4KMT2A
SCHEMBL7064408 0.79 ALDH1A1 (0.44) HCAR2ALDH1A1CYP3A4CA12CA9
SCHEMBL7066128 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7065786 0.79 STAT3 (0.37) HCAR2ALDH1A1KMT2A
SCHEMBL7064266 0.78 CA1 (0.41) HCAR2ALDH1A1CYP3A4CA9TP53
SCHEMBL7060919 0.76 THRB (0.37) ALDH1A1KMT2A
SCHEMBL27623050 0.74 KIF11 (0.38) ALDH1A1CYP3A4CA12CA7CA9
SCHEMBL7064391 0.73 MAOB (0.36) ALDH1A1CYP3A4FFAR1
SCHEMBL7959907 0.73 TDP1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
US-5880291-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0827954-A1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-03-11 EP disclosed