SCHEMBL7608480

SCHEMBL7608480

OC(CCN(Cc1ccccc1)Cc1ccccc1)(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
BCHE P06276 4/20 0.50
BCL2 P10415 2/20 0.50
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALOX5 P09917 2/20 0.47
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL7610278 0.86 L3MBTL1 (0.55) L3MBTL1BCHEPTGS1PTGS2LMNA
SCHEMBL6320470 0.84 CALM1 (0.47) L3MBTL1LMNASMN1; SMN2
SCHEMBL6326374 0.80 SMN1; SMN2 (0.46) BCL2MAPTMAOAMAOBSMN1; SMN2
SCHEMBL6320217 0.80 SMN1; SMN2 (0.46) BCL2SMN1; SMN2
SCHEMBL11627146 0.80 BCL2 (0.50) L3MBTL1BCHEBCL2PTGS1PTGS2
SCHEMBL11621170 0.78 CYP1A2 (0.53) L3MBTL1BCHEBCL2PTGS1PTGS2
SCHEMBL11840883 0.77 L3MBTL1 (0.57) L3MBTL1BCHEPTGS1PTGS2LMNA
SCHEMBL10787566 0.75 PTGS1 (0.56) L3MBTL1BCHEBCL2PTGS1PTGS2
SCHEMBL11626181 0.74 BCHE (0.59) BCHEGAA
SCHEMBL11125959 0.72 SMN1; SMN2 (0.57) BCL2SMN1; SMN2

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