SCHEMBL9338686

SCHEMBL9338686

CCOC(=O)C(Nc1ccccc1)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 4/20 0.54
GAA P10253 3/20 0.50
MMP8 P22894 2/20 0.46
PIN1 Q13526 1/20 0.46
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL2960871 0.91 CA12 (0.62) CA12CA1CA2CA9GAA
SCHEMBL9334531 0.84 CA12 (0.50) CA12CA1CA2CA9GAA
SCHEMBL9338670 0.84 ALDH1A1 (0.54) GAANPC1KMT2AMAPTLMNA
SCHEMBL13381398 0.84 CA12 (0.52) CA12CA1CA2CA9GAA
SCHEMBL5671993 0.83 CA12 (0.60) CA12CA1CA2CA9GAA
SCHEMBL27631537 0.81 GAA (0.54) CA12CA1CA2CA9GAA
SCHEMBL12724543 0.80 CA12 (0.46) CA12CA1CA2CA9GAA
SCHEMBL14040323 0.80 GAA (0.46) CA12CA1CA2CA9GAA
SCHEMBL30450762 0.80 HPGD (0.64) CA12CA1CA2CA9MMP8
SCHEMBL8031605 0.79 ELANE (0.53) CA12CA1CA2CA9GAA

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-0322236-B1 Catalytic process for preparing optically active threonine TAKASAGO PERFUMERY CO LTD (JP) 1994-05-04 EP disclosed
US-4906773-A Process for preparing optically active threonine TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-03-06 US disclosed
EP-0322236-A2 Catalytic process for preparing optically active threonine Takasago International Corporation (JP) 1989-06-28 EP disclosed