SCHEMBL8901381

SCHEMBL8901381

CCOC(=O)C1CCN(OS(C)(=O)=O)C(=C=O)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 6/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 2/20 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
SCHEMBL5832615 0.82 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL27450990 0.75 MAPT (0.48) MAPTALDH1A1KMT2AMEN1
SCHEMBL27466683 0.70 GAA (0.35) MAPTALDH1A1KMT2A
SCHEMBL20300394 0.70 ALDH1A1 (0.48) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL8901380 0.70 MAPT (0.59) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL561797 0.68 TP53 (0.67) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL28379145 0.67 PDK1 (0.47) MAPTALDH1A1KMT2AMEN1
SCHEMBL27780243 0.67 HRH3 (0.31)
SCHEMBL21375730 0.67 ALDH1A1 (0.58) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL1712953 0.67 MAPT (0.58) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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