SCHEMBL7608520

SCHEMBL7608520

CCOC(=O)COc1ccc(C(CN(Cc2ccccc2)CC(O)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 3/20 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
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ABCB1 P08183 1/20 0.38
ESR1 P03372 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7604658 0.89 MAPT (0.44) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7611523 0.87 L3MBTL1 (0.41) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL7608529 0.85 FFAR1 (0.40) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7607649 0.85 CTSV (0.44) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7606577 0.85 CTSV (0.44) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7609869 0.84 CTSV (0.40) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7605323 0.83 CTSV (0.43) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7604989 0.83 MEN1 (0.47) FFAR1MAPTMEN1KMT2ACTSV
SCHEMBL7609387 0.83 ADRB3 (0.45) ALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL7608253 0.83 ADRB3 (0.45) ALDH1A1SMN1; SMN2L3MBTL1HPGD

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