SCHEMBL7828898

SCHEMBL7828898

CCOc1ccc(NC(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.74
NPC1 O15118 10/20 0.74
MEN1 O00255 10/20 0.74
KMT2A Q03164 10/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
TP53 P04637 3/20 0.74
KDM4E B2RXH2 3/20 0.74
HTT P42858 2/20 0.74
LMNA P02545 1/20 0.74
MAPT P10636 3/20 0.71
MAPK1 P28482 3/20 0.71
ALDH1A1 P00352 2/20 0.70
GAA P10253 1/20 0.70
ALOX15 P16050 1/20 0.70
ATM Q13315 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
GPR55 Q9Y2T6 1/20 0.65
POLB P06746 1/20 0.65
APOBEC3A P31941 1/20 0.65
APOBEC3G Q9HC16 1/20 0.65

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
SCHEMBL9161457 0.92 RAB9A (0.64) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL18132366 0.86 PLK1 (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL17538577 0.86 ALDH1A1 (0.59) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4442096 0.85 RAB9A (0.74) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL27347841 0.85 RAB9A (1.00) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4432149 0.85 RAB9A (0.84) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL30307513 0.85 RAB9A (1.00) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL12189413 0.85 PLK1 (0.67) MEN1KMT2AGAAL3MBTL1
SCHEMBL12189536 0.85 PLK1 (0.67) MEN1KMT2AGAAL3MBTL1
SCHEMBL12835268 0.85 PLK1 (0.67) MEN1KMT2AGAAL3MBTL1

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