SCHEMBL8017401

SCHEMBL8017401

CC(=O)On1nccc1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLAT P00750 19/20 0.41
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL15941963 0.72 PLAT (0.49) PLATMEN1ALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL29918467 0.70 PLAT (0.48) PLATMEN1ALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL31554770 0.70 PLAT (0.48) PLATMEN1ALDH1A1MAPTPKM
SCHEMBL8021529 0.70 PLAT (0.42) PLAT
SCHEMBL5750605 0.70 PLAT (0.38) PLATMEN1ALDH1A1MAPTPKM
Cadaverine Tartrate SCHEMBL30751761 0.69 HCAR2 (0.45) PLATALOX15
Trifluoroacetic Acid SCHEMBL5445595 0.69 HCAR2 (0.48) PLAT
SCHEMBL8017108 0.69 PLAT (0.38) PLAT
SCHEMBL7606761 0.68 PLAT (0.41) PLATMEN1ALDH1A1MAPTPKM
SCHEMBL16845853 0.68 PLAT (0.43) PLATMEN1ALDH1A1MAPTPKM

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
WO-2000037074-A1 MUTILIN 14-ESTER DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-06-29 WO disclosed