SCHEMBL1898362

SCHEMBL1898362

CO[C@@H]1[C@H](OC(O)/C=C/C=C/C=C/C=C/C(=O)O)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C.CO[C@@H]1[C@H](OC(O)/C=C/C=C/C=C/C=C/C(=O)O)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 18/20 0.75
ABCB11 O95342 1/20 0.75
LMNA P02545 1/20 0.75
MEN1 O00255 1/20 0.75
ALDH1A1 P00352 1/20 0.75
MAPT P10636 1/20 0.75
KMT2A Q03164 1/20 0.75
CYP3A4 P08684 1/20 0.55

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
SCHEMBL8129 1.00 METAP2 (0.75) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL9551658 0.99 METAP2 (0.74) METAP2ABCB11LMNAMEN1ALDH1A1
Biphenyl SCHEMBL9323135 0.94 METAP2 (0.68) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL2552868 0.93 METAP2 (0.66) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL8503660 0.91 METAP2 (0.63) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL20658108 0.90 METAP2 (0.61) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL1245783 0.89 METAP2 (0.61) METAP2ABCB11LMNAMEN1ALDH1A1
Fumagillin SCHEMBL15263951 0.86 METAP2 (1.00) METAP2ABCB11LMNAMEN1ALDH1A1
Fumagillin SCHEMBL12526078 0.86 METAP2 (1.00) METAP2ABCB11LMNAMEN1ALDH1A1
Fumagillin SCHEMBL6953272 0.86 METAP2 (1.00) METAP2ABCB11LMNAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
EP-2317845-A1 METHODS OF TREATING AN OVERWEIGHT OR OBESE SUBJECT Zafgen, Inc. (US) 2011-05-11 EP disclosed
WO-2010009374-A1 METHODS OF TREATING AN OVERWEIGHT OR OBESE SUBJECT ZAFGEN, INC. (US) 2010-01-21 WO disclosed