SCHEMBL20107188

SCHEMBL20107188

CCOC(=O)C(CC(C)OS(=O)(=O)c1ccc(C)cc1)C(O)OCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 5/20 0.36
ALDH1A1 P00352 5/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 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
SCHEMBL10482932 0.77 ALDH1A1 (0.41) KMT2AGAAALDH1A1TSHRCA2
SCHEMBL863216 0.77 ALDH1A1 (0.41) KMT2AGAAALDH1A1TSHRCA2
SCHEMBL840437 0.77 ALDH1A1 (0.41) KMT2AGAAALDH1A1TSHRCA2
SCHEMBL18737643 0.77 GAA (0.45) KMT2AGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL14778372 0.77 GAA (0.45) KMT2AGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL5831287 0.77 GAA (0.45) KMT2AGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL17404667 0.77 GAA (0.45) KMT2AGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL16424498 0.77 GAA (0.45) KMT2AGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL6157269 0.76 KMT2A (0.44) KMT2AGAALMNAALDH1A1RECQL
SCHEMBL2081536 0.76 KMT2A (0.47) KMT2AGAALMNAALDH1A1RECQL

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
EP-3315497-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING CYCLOPROPANE CARBOXYLIC ACID COMPOUND Central Glass Co., Ltd. (JP) 2018-05-02 EP disclosed