SCHEMBL8901380

SCHEMBL8901380

CCOC(=O)C1CCN(C(=O)OS(C)(=O)=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
ALDH1A1 P00352 5/20 0.56
POLB P06746 2/20 0.56
GAA P10253 2/20 0.54
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL8797473 0.89 GAA (0.59) MAPTALDH1A1POLBGAAHTT
SCHEMBL1720494 0.85 MAPT (0.72) MAPTALDH1A1POLBGAAHTT
SCHEMBL3499191 0.81 MAPT (0.62) MAPTALDH1A1POLBGAAHTT
SCHEMBL3497278 0.81 MAPT (0.66) MAPTALDH1A1POLBGAAHTT
SCHEMBL3497274 0.80 MAPT (0.64) MAPTALDH1A1POLBGAAHTT
SCHEMBL561797 0.78 TP53 (0.67) MAPTALDH1A1POLBHTTL3MBTL1
SCHEMBL900124 0.77 MAPT (0.70) MAPTALDH1A1POLBGAACYP3A4
SCHEMBL5885563 0.77 MAPT (0.70) MAPTALDH1A1POLBGAACYP3A4
SCHEMBL27417579 0.77 GAA (0.69) MAPTALDH1A1GAAHTTL3MBTL1
SCHEMBL337418 0.77 ALDH1A1 (0.65) MAPTALDH1A1POLBGAAHTT

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-5693807-A Substituted hydroquinone derivatives CIBA-GEIGY CORPORATION (US) 1997-12-02 US disclosed
US-5290939-A Process for the manufacture of brofaromine and analogs thereof CIBA-GEIGY CORPORATION (US) 1994-03-01 US disclosed