SCHEMBL7609875

SCHEMBL7609875

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
CTSV O60911 4/20 0.40
CTSL P07711 4/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
ABCB1 P08183 1/20 0.38
FFAR1 O14842 1/20 0.37
PDCD1 Q15116 5/20 0.36
CD274 Q9NZQ7 5/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 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) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL7607653 0.89 CTSV (0.44) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL7606585 0.89 CTSV (0.44) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL7605326 0.85 CTSV (0.42) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL7609869 0.85 CTSV (0.40) PRKCAPRKCDCTSVCTSLMEN1
SCHEMBL7608529 0.84 FFAR1 (0.40) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL7609325 0.83 CTSV (0.43) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL4728111 0.82 KMT2A (0.43) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL7608191 0.82 FFAR1 (0.43) CTSVCTSLMAPTPOLBABCB1
SCHEMBL7606895 0.82 ABCB1 (0.44) CTSVCTSLMEN1MAPTKMT2A

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