SCHEMBL7812934

SCHEMBL7812934

CC(=O)C(=O)Sc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
POLB P06746 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
RECQL P46063 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS1 P23219 1/20 0.37
ALOX5 P09917 1/20 0.36
PTPN1 P18031 2/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL3084124 0.77
SCHEMBL3085517 0.75
SCHEMBL7589765 0.68 HPGD (0.40) TDP1KMT2AALDH1A1MAPTMEN1
SCHEMBL17758424 0.67 POLB (0.42) TDP1KMT2AALDH1A1MAPTMEN1
SCHEMBL2270636 0.66
SCHEMBL3287969 0.66
SCHEMBL16201960 0.66 TSHR (0.44) TDP1KMT2AALDH1A1MAPTMEN1
SCHEMBL8186098 0.66 ALDH1A1 (0.37) TDP1KMT2AALDH1A1MAPTMEN1
SCHEMBL7270690 0.66 HPGD (0.47) TDP1ALDH1A1MAPTCES2CES1
SCHEMBL4272442 0.65 MAP2K7 (0.45) KMT2AALDH1A1KDM4ECES2CES1

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