SCHEMBL7831687

SCHEMBL7831687

CCOC1=CC(=O)N(CC(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ POLB P06746 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL9302170 0.83 LMNA (0.36) LMNAPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL10484199 0.79 KMT2A (0.46) POLBCYP2D6CYP2C9CYP2C19KMT2A
Ammonia Solution, Strong SCHEMBL10668123 0.64 CYP2D6 (0.33) LMNAPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL6792682 0.62 TSHR (0.45) LMNAPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL28957621 0.60 PGR (0.39) LMNAL3MBTL1POLBKMT2AHSD17B10
SCHEMBL17472262 0.59 LMNA (0.36) LMNAL3MBTL1POLBKMT2ATSHR
SCHEMBL21648164 0.59 — —
SCHEMBL3492650 0.59 GAA (0.54) LMNAL3MBTL1POLBCYP2D6CYP2C9
SCHEMBL12037127 0.59 CYP2D6 (0.56) LMNAL3MBTL1POLBCYP2D6CYP2C9
SCHEMBL3490964 0.58 KDM4E (0.38) LMNAL3MBTL1POLBKMT2ATSHR

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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