SCHEMBL9362136

SCHEMBL9362136

COc1ccc(NCCCC(F)(F)Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.61
MAPT P10636 5/20 0.61
ALDH1A1 P00352 2/20 0.50
PPARG P37231 1/20 0.49
APP P05067 1/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40

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
SCHEMBL6745289 0.86 GAA (0.66) GAAMAPTALDH1A1PPARGAPP
SCHEMBL9362452 0.81 MAPT (0.57) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL9362990 0.81 RNF4 (0.45) GAAMAPTALDH1A1KDM4ENPSR1
SCHEMBL9365774 0.79 RHOC (0.49) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL11115002 0.79 GAA (0.70) GAAMAPTALDH1A1PPARGAPP
SCHEMBL9362324 0.79 MAPT (0.39) MAPTALDH1A1
SCHEMBL5309192 0.79 GAA (0.70) GAAMAPTALDH1A1PPARGAPP
SCHEMBL1030950 0.78 GAA (1.00) GAAMAPTALDH1A1PPARGAPP
SCHEMBL2097210 0.77 GAA (0.73) GAAMAPTALDH1A1PPARGAPP
SCHEMBL11331749 0.75 GAA (0.70) GAAMAPTALDH1A1PPARGAPP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413666-B1 Butyric acid derivatives CIBA GEIGY AG (CH) 1994-04-13 EP claimed