SCHEMBL5225784

SCHEMBL5225784

CN[C@H](C(=O)O)[C@@H](C)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TP53 P04637 1/20 0.31
ALOX15 P16050 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
SCHEMBL10308597 1.00 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL21182411 0.81 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12835467 0.81 ELANE (0.30)
SCHEMBL10269358 0.81 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12835469 0.81 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8847352 0.81 TRPV1 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8847348 0.81 TRPV1 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10217667 0.77 TP53 (0.33) SMN1; SMN2ALDH1A1TP53
SCHEMBL13717246 0.77 TP53 (0.33) SMN1; SMN2ALDH1A1TP53
SCHEMBL25662418 0.77 TP53 (0.33) SMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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