SCHEMBL9773201

SCHEMBL9773201

CCOC(=O)[C@H](CCc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ACE P12821 3/20 0.44
MAPT P10636 2/20 0.42
TAAR1 Q96RJ0 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BLM P54132 1/20 0.40
MMP8 P22894 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIN1 Q13526 1/20 0.38

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
SCHEMBL1858577 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ACEMAPTTAAR1THRB
SCHEMBL5674353 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ACEMAPTTAAR1THRB
SCHEMBL10957115 0.90 KMT2A (0.39) SMN1; SMN2ACEMAPTHTTHSD17B10
SCHEMBL7722450 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ACEMAPTMMP8PPARG
SCHEMBL20676404 0.89 ACE (0.37) SMN1; SMN2ACEMAPTHTTHSD17B10
SCHEMBL7375987 0.88 BLM (0.41) BLMPPARGPPARAL3MBTL1
SCHEMBL5012826 0.88 BLM (0.41) BLMPPARGPPARAL3MBTL1
SCHEMBL8142297 0.88 MEN1 (0.43) SMN1; SMN2BLMPPARGPPARA
SCHEMBL7344531 0.88 BLM (0.41) BLMPPARGPPARAL3MBTL1
SCHEMBL7728941 0.88 MEN1 (0.43) SMN1; SMN2BLMPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed