SCHEMBL21582882

SCHEMBL21582882

COc1ccc(/C=C/C(=O)O[C@@H]2CC[C@]3(CO3)C([C@]3(C)OC3CC=C(C)C)[C@@H]2OC)cc1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 18/20 0.81
ABCB11 O95342 1/20 0.69
LMNA P02545 1/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
MAPT P10636 1/20 0.69
KMT2A Q03164 1/20 0.69
CYP3A4 P08684 1/20 0.56

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
SCHEMBL14984949 1.00 METAP2 (0.81) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL23710407 1.00 METAP2 (0.81) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL6883791 1.00 METAP2 (0.81) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL18458206 1.00 METAP2 (0.81) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL6883789 1.00 METAP2 (0.81) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL13799962 0.94 METAP2 (0.78) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL19880170 0.94 METAP2 (0.82) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL18458208 0.94 METAP2 (0.82) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL21017027 0.93 METAP2 (0.76) METAP2ABCB11LMNAMEN1ALDH1A1
SCHEMBL21880698 0.93 METAP2 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3574922-A1 MODIFIED OR POLYMER-CONJUGATED FUMAGILLOL METAP2 INHIBITORS FOR USE IN IMPROVING OR RESTORING INSULIN SENSITIVITY Syndevrx, Inc. (US) 2019-12-04 EP disclosed