SCHEMBL7604658

SCHEMBL7604658

O=[N+]([O-])c1cc([C@@H](O)CN(Cc2ccccc2)CC(c2ccc(OCc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ABCB1 P08183 1/20 0.40
AR P10275 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL7606577 0.93 CTSV (0.44) MAPTMEN1KMT2AMMP1MMP2
SCHEMBL7607649 0.93 CTSV (0.44) MAPTMEN1KMT2AMMP1MMP2
SCHEMBL7605323 0.91 CTSV (0.43) MAPTMEN1KMT2AMMP1MMP2
SCHEMBL7608520 0.89 FFAR1 (0.40) MAPTMEN1KMT2AMMP1MMP2
SCHEMBL7609869 0.89 CTSV (0.40) MAPTMEN1KMT2AMMP1MMP2
SCHEMBL7690585 0.88 POLB (0.45) MAPTMEN1KMT2AMMP1MMP2
SCHEMBL7690582 0.88 POLB (0.45) MAPTMEN1KMT2AMMP1MMP2
SCHEMBL7604989 0.86 MEN1 (0.47) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL7605016 0.86 MAPT (0.43) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL7605039 0.85 CTSV (0.42) MAPTMEN1KMT2ACTSVCTSL

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