SCHEMBL7821777

SCHEMBL7821777

N#CC(=CC(=O)O)c1cccc(O)c1.O=C(O)C(O)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALPG P10696 2/20 0.39
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
PTPN7 P35236 2/20 0.35

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
SCHEMBL2057249 0.83 CA12 (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1CA12
Alpha-Cyano-3-Hydroxycinnamic Acid SCHEMBL7821767 0.75 KDM4E (0.68) LMNAHPGDKMT2AMEN1ALDH1A1
SCHEMBL6744132 0.74 L3MBTL1 (0.42) HPGDSMN1; SMN2KMT2APOLBL3MBTL1
SCHEMBL15190627 0.73 CA12 (0.39) LMNASMN1; SMN2ALDH1A1CA12CA1
SCHEMBL23465352 0.72 SMN1; SMN2 (0.45) LMNAHPGDSMN1; SMN2ALPGKMT2A
SCHEMBL8743711 0.72 SMN1; SMN2 (0.45) LMNAHPGDSMN1; SMN2ALPGKMT2A
SCHEMBL196920 0.69 LMNA (0.62) LMNAHPGDSMN1; SMN2ALPGALDH1A1
SCHEMBL4632807 0.69 LMNA (0.62) LMNAHPGDSMN1; SMN2ALPGALDH1A1
SCHEMBL196919 0.69 LMNA (0.62) LMNAHPGDSMN1; SMN2ALPGALDH1A1
SCHEMBL305984 0.68 ALDH1A1 (0.46) LMNAHPGDSMN1; SMN2KMT2AL3MBTL1

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