SCHEMBL11533429

SCHEMBL11533429

O=C(O)NCc1ccc(CNC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
TSHR P16473 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
TPSAB1 Q15661 2/20 0.52
APEX1 P27695 1/20 0.52
LMNA P02545 2/20 0.52
NPC1 O15118 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.48

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
SCHEMBL8602062 0.93 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL258716 0.91 CYP2C9 (0.62) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL3662909 0.91 SMN1; SMN2 (0.71) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL376127 0.91 CYP1A2 (0.57) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL3457884 0.91 TSHR (0.57) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL27866 0.90 CYP2D6 (0.80) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL1694370 0.89 L3MBTL1 (0.62) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL12466491 0.89 CYP1A2 (0.55) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL3278767 0.89 CYP2C9 (0.55) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL5166934 0.89 CYP1A2 (0.55) CYP2C9CYP2C19CYP1A2CYP2D6TSHR

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-4141883-A Stabilization of synthetic polymers by penta-or-hexa-substituted 4-piperidinol derivatives SANKYO COMPANY, LIMITED (JP) 1979-02-27 US disclosed