SCHEMBL5225767

SCHEMBL5225767

COC(=O)[C@@H](N)[C@@H](C)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CA14 Q9ULX7 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
CA12 O43570 1/20 0.32
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL18760226 1.00 TSHR (0.42) TSHRALDH1A1SMN1; SMN2CA14CHRM2
SCHEMBL10633450 0.91 TSHR (0.35) TSHRALDH1A1SMN1; SMN2
SCHEMBL25710318 0.83 TSHR (0.54) TSHRSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL345125 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA14CA12SLC1A3
SCHEMBL345123 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA14CA12SLC1A3
SCHEMBL420691 0.79 TSHR (0.48) TSHRALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL6187176 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA14CA12SLC1A3
SCHEMBL5194870 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA14CA12SLC1A3
SCHEMBL2736272 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA14CA12SLC1A3
SCHEMBL9290086 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA14CA12SLC1A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514158-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF Aptinyx Inc. (US) 2019-07-24 EP disclosed
EP-1575900-A4 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LT (AU) 2007-02-21 EP disclosed
EP-1575900-A1 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LTD (AU) 2005-09-21 EP disclosed
WO-2004007427-A1 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LTD (AU) 2004-01-22 WO disclosed
EP-0568594-B1 NOVEL INSULIN ANALOGS suited for transdermal application NOVO NORDISK AS (DK) 1996-04-17 EP disclosed
EP-0568594-A1 NOVEL INSULIN ANALOGS. NOVO NORDISK AS (DK) 1993-11-10 EP disclosed
WO-1992015611-A1 NOVEL INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 1992-09-17 WO disclosed
WO-1992012999-A1 NOVEL INSULIN ANALOGS NOVO NORDISK A/S (DK) 1992-08-06 WO disclosed