SCHEMBL7834819

SCHEMBL7834819

COc1cc(C=CC(=O)O)cc2c1OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 4/20 0.57
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PKM P14618 2/20 0.51
HTR1A P08908 2/20 0.51
HTR2C P28335 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
SNCA P37840 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48

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
SCHEMBL13890450 0.85 TTR (0.43) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL28490896 0.78 KDM4E (0.54) KDM4EALDH1A1POLBTDP1HPGD
SCHEMBL28497189 0.78 KDM4E (0.54) KDM4EALDH1A1POLBTDP1HPGD
SCHEMBL4871137 0.74 IP6K1 (0.41) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL4871141 0.74 IP6K1 (0.41) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL24621918 0.74 CNR1 (0.37) ALDH1A1L3MBTL1SMN1; SMN2MAPK1LMNA
SCHEMBL4865191 0.73 IP6K1 (0.43) KDM4EPOLBTDP1HPGDSMN1; SMN2
SCHEMBL4865182 0.73 IP6K1 (0.43) KDM4EPOLBTDP1HPGDSMN1; SMN2
SCHEMBL7309566 0.73 KDM4E (0.80) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL21002107 0.73 KDM4E (1.00) KDM4EALDH1A1POLBTDP1L3MBTL1

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