SCHEMBL7764652

SCHEMBL7764652

COc1ccc(C(O)(CC(C)C(N)[C@@H](O)COc2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.42
KIF11 P52732 7/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL7772518 0.89 LMNA (0.43) KMT2ALMNAKIF11MAPTMEN1
SCHEMBL7770269 0.88 LMNA (0.40) CASRKMT2ALMNAKIF11MAPT
SCHEMBL7772500 0.86 LMNA (0.40) KMT2ALMNAKIF11L3MBTL1KDM4E
SCHEMBL7764611 0.84 LMNA (0.39) LMNAKIF11
SCHEMBL7764613 0.84 LMNA (0.39) LMNAKIF11
SCHEMBL7772524 0.80 KIF11 (0.48) CASRKMT2ALMNAKIF11MAPT
Hydrochloric Acid SCHEMBL7769555 0.79 MLYCD (0.41) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL7768603 0.79 RAB9A (0.48) LMNAMAPTMAPK1KDM4EALDH1A1
SCHEMBL8607099 0.76 CASR (0.47) CASRKMT2ALMNAMAPK1L3MBTL1
SCHEMBL6319503 0.75 KMT2A (0.63) CASRKMT2AMAPTGAAMEN1

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-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed