SCHEMBL7608356

SCHEMBL7608356

CC(O)C(Oc1ccc(OCc2ccccc2)c(N)c1)N(Cc1ccccc1)CC(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
BCHE P06276 2/20 0.41
EPOR P19235 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ABCB1 P08183 1/20 0.40
ACACB O00763 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
LTA4H P09960 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
SCHEMBL7612302 0.90 ALOX5 (0.45) ALOX5BCHEEPORPTGS1PTGS2
SCHEMBL7612363 0.89 NPC1 (0.48) EPORL3MBTL1LMNALTA4H
SCHEMBL7606266 0.84 ELANE (0.42) ALOX5BCHEPTGS1PTGS2ABCB1
SCHEMBL7039498 0.83 NPY5R (0.46) ALOX5PTGS1PTGS2ABCB1ACACB
SCHEMBL7605332 0.82 ABCB1 (0.37) ALOX5ABCB1
SCHEMBL7606841 0.82 NR1H3 (0.41) ABCB1
SCHEMBL7608227 0.81 PTGS1 (0.40) ALOX5BCHEEPORPTGS1PTGS2
SCHEMBL7607642 0.80 NPC1 (0.47) ALOX5EPORLMNALTA4H
SCHEMBL7609951 0.79 SMN1; SMN2 (0.36) ALOX5BCHEL3MBTL1LMNA
SCHEMBL7042816 0.78 ABCB1 (0.44) ALOX5BCHEABCB1

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