SCHEMBL15468307

SCHEMBL15468307

C[C@@H]1CCC[C@@H]2C[C@H](C)C(=O)N21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
MAPK1 P28482 1/20 0.36
ACHE P22303 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL15468310 0.88 CA1 (0.32) CA1CA2CA4
SCHEMBL15468302 0.84 MAPK1 (0.36) ALDH1A1HPGDGFERMAPK1ACHE
SCHEMBL15468305 0.80 CA1 (0.39) ALDH1A1HPGDGFERMAPK1LMNA
SCHEMBL17577746 0.77 PKM (0.31) ALDH1A1POLB
SCHEMBL14585063 0.72 PIK3CD (0.34) ALDH1A1POLBCA1CA2CA4
SCHEMBL418973 0.72 PIK3CD (0.34) ALDH1A1POLBCA1CA2CA4
SCHEMBL14170536 0.72 ALDH1A1 (0.35) ALDH1A1HPGDGFERMAPK1
SCHEMBL14170527 0.71 ALDH1A1 (0.34) ALDH1A1HPGDGFERMAPK1LMNA
SCHEMBL13722579 0.69 NOS1 (0.36) ALDH1A1MAPK1LMNAPOLBGAA
SCHEMBL7713426 0.69 XIAP (0.36) MAPK1

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-8648094-B2 IAP BIR domain binding compounds PHARMASCIENCE, INC. (CA) 2014-02-11 US disclosed