SCHEMBL10695523

SCHEMBL10695523

C=CCN(C(=O)COC(C)=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.41
IDE P14735 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6427847 0.80 TSHR (0.49) TSHRL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL11794701 0.80 ALDH1A1 (0.45) TSHRL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL11772419 0.80 TSHR (0.47) TSHRMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4207496 0.80 TSHR (0.51) TSHRMEN1KMT2ASMN1; SMN2POLB
SCHEMBL10015679 0.79 TSHR (0.46) TSHRL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL2577552 0.79 TSHR (0.54) TSHRL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL11770283 0.79 TSHR (0.46) TSHRMEN1KMT2ASMN1; SMN2POLB
SCHEMBL9676729 0.79 ALDH1A1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL9711947 0.79 TSHR (0.51) TSHRL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL10694643 0.78 TSHR (0.49) TSHRMEN1KMT2ASMN1; SMN2POLB

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-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed
US-4518789-A Phenyl alpha-acyloxyacetamide derivatives and their therapeutic use YU RUEY J 1985-05-21 US disclosed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed