SCHEMBL7770269

SCHEMBL7770269

COc1cccc(C(O)(CC(C)C(N)[C@@H](O)COc2ccccc2)c2cccc(OC)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KIF11 P52732 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CASR P41180 2/20 0.38
TAAR1 Q96RJ0 2/20 0.37
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7764652 0.88 CASR (0.44) LMNAMAPK1KIF11MAPTKDM4E
SCHEMBL7772518 0.82 LMNA (0.43) LMNATSHRKIF11MAPTKMT2A
SCHEMBL7772500 0.80 LMNA (0.40) LMNATSHRKIF11KDM4EKMT2A
SCHEMBL7764611 0.78 LMNA (0.39) LMNATSHRKIF11MTNR1AMTNR1B
SCHEMBL7764613 0.78 LMNA (0.39) LMNATSHRKIF11MTNR1AMTNR1B
SCHEMBL7077357 0.76 KMT2A (0.55) TSHRMAPK1KDM4ECASRKMT2A
SCHEMBL7077354 0.76 KMT2A (0.55) TSHRMAPK1KDM4ECASRKMT2A
SCHEMBL7768603 0.73 RAB9A (0.48) LMNATSHRMAPK1MAPTKDM4E
Hydrochloric Acid SCHEMBL7769555 0.73 MLYCD (0.41) MAPTKMT2A
SCHEMBL7770270 0.73 KIF11 (0.41) TSHRMAPK1KIF11MAPTCASR

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