SCHEMBL7824889

SCHEMBL7824889

CCOc1ccccc1NC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
TSHR P16473 2/20 0.62
RECQL P46063 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 1/20 0.59
MAPT P10636 1/20 0.59
USP2 O75604 1/20 0.57
GAA P10253 2/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL12316782 0.81 KMT2A (0.66) KDM4ETSHRRECQLHSD17B10MEN1
SCHEMBL2751300 0.76 ALDH1A1 (0.70) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5509544 0.76 DHODH (0.57) KDM4ETSHRRECQLHSD17B10MEN1
SCHEMBL4226856 0.76 DGAT1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4226864 0.76 DGAT1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4226860 0.76 DGAT1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL2835288 0.76 GAA (0.73) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL9297476 0.74 KMT2A (0.75) KDM4EMEN1KMT2AALDH1A1CYP2C19
SCHEMBL8110954 0.74 GAA (0.75) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL24496664 0.73 GAA (0.69) KDM4ETSHRMEN1KMT2AALDH1A1

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