SCHEMBL20873191

SCHEMBL20873191

OCCNc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 4/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL9225197 0.89 ALDH1A1 (0.55) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL5839282 0.88 POLB (0.57) POLBALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL5840060 0.84 ALDH1A1 (0.53) POLBALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL4511824 0.82 TAS2R14 (0.49) POLBALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL16726961 0.82 TAS2R14 (0.49) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL6236003 0.81 POLB (0.50) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL6404409 0.81 KDM4E (0.49) POLBALDH1A1TDP1KDM4EGLA
SCHEMBL10986893 0.79 ALDH1A1 (0.58) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL6156472 0.79 KDM4E (0.57) POLBALDH1A1L3MBTL1KDM4EGLA
SCHEMBL9221569 0.78 POLB (0.47) POLBALDH1A1TDP1L3MBTL1KDM4E

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-3466920-A1 METHOD FOR OBTAINING -AMINO ALCOHOLS Universitat de València (ES) 2019-04-10 EP disclosed