SCHEMBL7875378

SCHEMBL7875378

O=C(O)C1CCN1C(=O)OCc1cccc2c1C(S(=O)(=O)O)c1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PREP P48147 3/20 0.36
PARP1 P09874 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
TMEM97 Q5BJF2 2/20 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
SCHEMBL1934600 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1RAB9ANPC1TSHR
SCHEMBL114462 0.77 CA1 (0.35) SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL30063787 0.75 FABP5 (0.49) SMN1; SMN2ALDH1A1PREPRAB9A
SCHEMBL29540385 0.75 FABP5 (0.49) SMN1; SMN2ALDH1A1PREPRAB9A
SCHEMBL119436 0.75 FABP5 (0.49) SMN1; SMN2ALDH1A1PREPRAB9A
SCHEMBL1847817 0.75 FABP5 (0.49) SMN1; SMN2ALDH1A1PREPRAB9A
SCHEMBL29447611 0.75 FABP5 (0.49) SMN1; SMN2ALDH1A1PREPRAB9A
SCHEMBL29447569 0.75 FABP5 (0.49) SMN1; SMN2ALDH1A1PREPRAB9A
SCHEMBL120478 0.75 FABP5 (0.49) SMN1; SMN2ALDH1A1PREPRAB9A
SCHEMBL7112033 0.74 PNMT (0.42) SMN1; SMN2ALDH1A1PREPPARP1RAB9A

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-6313315-B1 RESOLUTION; ENANTIOMORPHIC PURIFICATION; CRYSTALLIZATION IN SOLVENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-06 US disclosed
EP-1057810-A1 Method for producing n-protected-azetidine-2-carboxylic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-06 EP disclosed