SCHEMBL4466642

SCHEMBL4466642

C[C](C)C(=O)N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
PDK1 Q15118 1/20 0.47
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.44
HPGD P15428 4/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
FKBP1A P62942 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL15116635 0.86 PKM (0.51) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL15106278 0.84 PKM (0.53) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL3892811 0.84 PKM (0.53) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL15106276 0.84 PKM (0.53) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL15106275 0.84 PKM (0.53) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL10233923 0.83 PKM (0.49) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL18478123 0.81 SMN1; SMN2 (0.52) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL1196644 0.81 SMN1; SMN2 (0.52) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL20671801 0.81 SMN1; SMN2 (0.52) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL4000982 0.81 SMN1; SMN2 (0.52) PKMMAPK1SMN1; SMN2PDK1ALDH1A1

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-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed