SCHEMBL7605019

SCHEMBL7605019

COc1ccc(C(CCN(Cc2ccccc2)[C@@H](CO)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 2/20 0.43
ABCB1 P08183 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
MAPK1 P28482 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
POLB P06746 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL7605045 0.92 CTSV (0.43) MAPTALDH1A1KMT2AMEN1ABCB1
SCHEMBL4728111 0.89 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL7604662 0.85 MEN1 (0.44) MAPTKMT2AMEN1ABCB1LMNA
SCHEMBL7610616 0.85 ALDH1A1 (0.43) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL7606604 0.85 ALDH1A1 (0.43) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL7605885 0.83 MAPT (0.45) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL7605016 0.83 MAPT (0.43) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL7607653 0.83 CTSV (0.44) MAPTKMT2AMEN1ABCB1CTSV
SCHEMBL7606585 0.83 CTSV (0.44) MAPTKMT2AMEN1ABCB1CTSV
SCHEMBL28923195 0.82 KMT2A (0.42) MAPTALDH1A1KMT2AMEN1HPGD

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