SCHEMBL7608529

SCHEMBL7608529

CCOC(=O)COc1ccc(C(CN(Cc2ccccc2)C(CO)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c2ccc(OCC(=O)OCC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSV O60911 4/20 0.39
CTSL P07711 4/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCB1 P08183 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
ESR1 P03372 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7604662 0.89 MEN1 (0.44) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7611531 0.87 ESR1 (0.38) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7607653 0.86 CTSV (0.44) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7606585 0.86 CTSV (0.44) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7608520 0.85 FFAR1 (0.40) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7609875 0.84 PRKCA (0.41) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7605326 0.83 CTSV (0.42) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7609423 0.83 ADRB3 (0.40) MAPTSMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL7608285 0.83 ADRB3 (0.40) MAPTSMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL7606895 0.82 ABCB1 (0.44) FFAR1MAPTMEN1KMT2ACTSV

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-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed