SCHEMBL10694643

SCHEMBL10694643

C=CCN(C(=O)CO)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
POLB P06746 3/20 0.43
ALDH1A1 P00352 4/20 0.43
GLA P06280 2/20 0.43
TP53 P04637 1/20 0.42
ESR1 P03372 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 3/20 0.41
PAX8 Q06710 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL4207496 0.84 TSHR (0.51) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL7504930 0.84 TSHR (0.48) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL11414115 0.84 ALDH1A1 (0.60) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL10619595 0.83 ALDH1A1 (0.57) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL946547 0.83 TSHR (0.53) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL5932535 0.81 TSHR (0.51) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL6427847 0.81 TSHR (0.49) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL3465939 0.80 TP53 (0.45) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL7498798 0.80 TSHR (0.48) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL12298739 0.80 TSHR (0.45) TSHRKMT2AMEN1POLBALDH1A1

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 7 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
EP-0020859-A1 Substituted N-allyl acetanilides, process for their preparation and their use as fungicides BAYER AG (DE) 1981-01-07 EP claimed
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP disclosed
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
EP-0020859-A1 Substituted N-allyl acetanilides, process for their preparation and their use as fungicides BAYER AG (DE) 1981-01-07 EP disclosed
US-3954827-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed