SCHEMBL7829665

SCHEMBL7829665

O=C(O)C1CC=CCC1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
TDP1 Q9NUW8 4/20 0.70
POLB P06746 3/20 0.70
HTT P42858 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.67
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
GRM4 Q14833 1/20 0.55
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL20559746 0.86 PARP1 (0.61) ALDH1A1HTTSMN1; SMN2MAPTMEN1
SCHEMBL20559230 0.86 PARP1 (0.61) ALDH1A1HTTSMN1; SMN2MAPTMEN1
SCHEMBL10797613 0.86 GRM4 (0.64) ALDH1A1TDP1POLBHTTSMN1; SMN2
SCHEMBL10797609 0.86 GRM4 (0.64) ALDH1A1TDP1POLBHTTSMN1; SMN2
SCHEMBL10905957 0.83 ALDH1A1 (0.50) ALDH1A1TDP1POLBHTTSMN1; SMN2
SCHEMBL10905846 0.83 ALDH1A1 (0.50) ALDH1A1TDP1POLBHTTSMN1; SMN2
SCHEMBL730838 0.82 ALDH1A1 (0.67) ALDH1A1POLBHTTSMN1; SMN2MAPT
SCHEMBL12190079 0.80 RXFP1 (0.53) ALDH1A1TDP1POLBHTTSMN1; SMN2
SCHEMBL7822572 0.78 ALDH1A1 (0.71) ALDH1A1TDP1POLBHTTSMN1; SMN2
SCHEMBL19638388 0.75 RXFP1 (0.73) ALDH1A1POLBSMN1; SMN2MEN1RAB9A

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