SCHEMBL7611523

SCHEMBL7611523

CCOC(=O)COc1ccc(C(CN(Cc2ccccc2)CC(O)c2ccc(OCc3ccccc3)c(N)c2)c2ccc(OCC(=O)OCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
ESR1 P03372 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
ALOX5 P09917 1/20 0.37
NR1H3 Q13133 2/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37

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
SCHEMBL7608224 0.87 MMP1 (0.45) L3MBTL1MMP13MMP1MMP2MMP9
SCHEMBL7695645 0.87 MMP1 (0.45) L3MBTL1MMP13MMP1MMP2MMP9
SCHEMBL7608520 0.87 FFAR1 (0.40) L3MBTL1ALDH1A1MMP13MMP1MMP2
SCHEMBL7609387 0.86 ADRB3 (0.45) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7608253 0.86 ADRB3 (0.45) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7610361 0.85 NR1H3 (0.46) L3MBTL1ALDH1A1MMP13MMP1MMP2
SCHEMBL7611102 0.85 NR1H3 (0.46) L3MBTL1ALDH1A1MMP13MMP1MMP2
SCHEMBL7611531 0.84 ESR1 (0.38) L3MBTL1ALDH1A1MMP13MMP1MMP2
SCHEMBL7606219 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNANR1H3
SCHEMBL7611061 0.79 MEN1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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