SCHEMBL8905280

SCHEMBL8905280

c1ccc(C2OCC([C@@H]3CO3)O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.39
ATM Q13315 2/20 0.39
MITF O75030 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADRA1A P35348 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
SCHEMBL8905004 1.00 MEN1 (0.49) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL8905152 1.00 MEN1 (0.49) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL7153011 0.96 MEN1 (0.51) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL7145829 0.96 MEN1 (0.51) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL17470027 0.87 MEN1 (0.54) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL12747477 0.84 MEN1 (0.48) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL15574708 0.84 MEN1 (0.45) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL15615492 0.84 MEN1 (0.45) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL15575173 0.84 MEN1 (0.42) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL15573155 0.84 MEN1 (0.48) MEN1KMT2AMAPTCYP3A4CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5659021-A Chiral glycerol derivatives THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1997-08-19 US disclosed