SCHEMBL7605039

SCHEMBL7605039

O=[N+]([O-])c1cc([C@@H](O)CN(CCC(c2ccc(O)cc2)c2ccc(O)cc2)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.42
CTSL P07711 4/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
POLB P06746 1/20 0.41
FFAR1 O14842 1/20 0.40
ABCB1 P08183 1/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
BACE1 P56817 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7607649 0.92 CTSV (0.44) CTSVCTSLPDCD1CD274POLB
SCHEMBL7606577 0.92 CTSV (0.44) CTSVCTSLPDCD1CD274POLB
SCHEMBL7605016 0.91 MAPT (0.43) CTSVCTSLPDCD1CD274POLB
SCHEMBL7604462 0.88 POLB (0.46) CTSVCTSLPDCD1CD274POLB
SCHEMBL7604658 0.85 MAPT (0.44) CTSVCTSLPDCD1CD274POLB
SCHEMBL7605323 0.84 CTSV (0.43) CTSVCTSLPDCD1CD274POLB
SCHEMBL7605045 0.82 CTSV (0.43) CTSVCTSLPDCD1CD274POLB
SCHEMBL7611581 0.82 ALDH1A1 (0.46) CTSVCTSLPDCD1CD274POLB
SCHEMBL12995584 0.81 PDCD1 (0.40) CTSVCTSLPDCD1CD274POLB
SCHEMBL12995579 0.81 CTSV (0.44) CTSVCTSLPDCD1CD274POLB

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