SCHEMBL7828889

SCHEMBL7828889

CCC(=O)Oc1cccc(-c2ccccc2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.47
PDCD1 Q15116 3/20 0.47
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ELANE P08246 1/20 0.43
PKM P14618 1/20 0.42
ACLY P53396 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL2058257 0.87 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL9516092 0.84 L3MBTL1 (0.45) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7047572 0.83 PDCD1 (0.49) CD274PDCD1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9960478 0.83 ACLY (0.46) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL28321273 0.82 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL28968075 0.82 FFAR4 (0.43) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL27717755 0.79 SLC6A3 (0.55) CD274PDCD1SMN1; SMN2L3MBTL1LMNA
SCHEMBL29018628 0.79 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL1750794 0.78 POLB (0.53) KDM4EALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL28422371 0.78 PPARG (0.44) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA

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