SCHEMBL7821110

SCHEMBL7821110

CC(c1ccccc1)c1ccccc1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
GLA P06280 1/20 0.60
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
PTGDR2 Q9Y5Y4 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
PARP1 P09874 1/20 0.44
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4808600 0.85 L3MBTL1 (0.66) L3MBTL1GLAPOLBSMN1; SMN2KMT2A
SCHEMBL10020554 0.83 L3MBTL1 (0.69) L3MBTL1GLAPOLBSMN1; SMN2KMT2A
SCHEMBL3009497 0.82 L3MBTL1 (0.62) L3MBTL1GLAPOLBSMN1; SMN2KMT2A
SCHEMBL8849743 0.82 L3MBTL1 (0.62) L3MBTL1GLAPOLBSMN1; SMN2KMT2A
SCHEMBL4575987 0.81 L3MBTL1 (0.65) L3MBTL1GLAPOLBSMN1; SMN2KMT2A
SCHEMBL10020556 0.81 L3MBTL1 (0.60) L3MBTL1GLAPOLBSMN1; SMN2KMT2A
SCHEMBL11329638 0.79 ALDH1A1 (0.48) L3MBTL1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL353878 0.79 L3MBTL1 (0.62) L3MBTL1GLAPOLBSMN1; SMN2KMT2A
SCHEMBL10020555 0.78 L3MBTL1 (0.66) L3MBTL1GLAPOLBSMN1; SMN2KMT2A
SCHEMBL8846909 0.78 TYR (0.42) L3MBTL1POLBKMT2AALDH1A1KDM4E

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