SCHEMBL7609869

SCHEMBL7609869

CC(C)(C)C(=O)Oc1ccc(C(CN(Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c2ccc(OC(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.40
CTSL P07711 4/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
ABCB1 P08183 1/20 0.39
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
FFAR1 O14842 1/20 0.38
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ELANE P08246 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
SCHEMBL7604658 0.89 MAPT (0.44) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7607649 0.88 CTSV (0.44) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7606577 0.88 CTSV (0.44) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7609875 0.85 PRKCA (0.41) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7605323 0.84 CTSV (0.43) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7608520 0.84 FFAR1 (0.40) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7609320 0.83 CTSV (0.44) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7699817 0.83 CTSV (0.44) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7604989 0.83 MEN1 (0.47) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7656679 0.82 ADRB3 (0.44)

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