SCHEMBL6249255

SCHEMBL6249255

CCCCOC(=O)NC(CC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 3/20 0.45
CYP3A4 P08684 2/20 0.45
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 3/20 0.42
NFKB1 P19838 1/20 0.41
STAT1 P42224 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9391326 0.85 POLB (0.47) POLBTSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL8733381 0.82 POLB (0.45) POLBTSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL29897721 0.79 POLB (0.49) POLBTSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL10440896 0.78 POLB (0.48) POLBTSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL11338599 0.77 NPC1 (0.54) POLBTSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL8168380 0.74 KCNN4 (0.55) POLBTSHRTDP1L3MBTL1CYP2C19
SCHEMBL7397655 0.74 ACHE (0.47) POLBALDH1A1
Ammonia Solution, Strong SCHEMBL23711259 0.74 TSHR (0.50) POLBTSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL6865447 0.73 HDAC3 (0.49) POLBTSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL11525723 0.73 ACHE (0.46) POLBALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575914-A1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2005-09-21 EP disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed
WO-2004056764-A1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2004-07-08 WO disclosed