SCHEMBL7834603

SCHEMBL7834603

COc1cc2c(cc1OC)C(CC(=O)O)OC2=O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.71
ATM Q13315 1/20 0.67
KDM4E B2RXH2 2/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LMNA P02545 1/20 0.53
TSHR P16473 2/20 0.51
HTT P42858 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
SCHEMBL26863271 0.86 APEX1 (0.51) APEX1ATMKDM4EHPGDSMN1; SMN2
SCHEMBL11653308 0.85 KDM4E (0.67) APEX1ATMKDM4EHPGDSMN1; SMN2
SCHEMBL14966073 0.83 KDM4E (0.47) APEX1ATMKDM4ELMNATSHR
SCHEMBL6086674 0.80 ATM (1.00) APEX1ATMKDM4EHPGDSMN1; SMN2
SCHEMBL6087720 0.80 ATM (0.80) APEX1ATMKDM4EHPGDSMN1; SMN2
SCHEMBL28438637 0.79 KDM4E (0.43) APEX1ATMKDM4ELMNA
SCHEMBL17637276 0.75 APEX1 (0.69) APEX1ATMKDM4EHPGDSMN1; SMN2
SCHEMBL28436076 0.74 KDM4E (0.43) ATMKDM4ELMNA
SCHEMBL16209400 0.74 SRD5A1 (0.46) HPGDSMN1; SMN2
SCHEMBL14965950 0.74 SRD5A1 (0.46) HPGDSMN1; SMN2

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