SCHEMBL9315522

SCHEMBL9315522

CC1=C(C)C(=O)N(OCC(=O)O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
NR4A1 P22736 1/20 0.33
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 3/20 0.32
CTH P32929 1/20 0.32
CBS P35520 1/20 0.32
THPO P40225 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL9837166 0.79 KMT2A (0.37) ALDH1A1PKMCYP1A2CYP2C9KDM4E
SCHEMBL28933285 0.71 ALOX12 (0.42) ALDH1A1PKMCYP1A2CYP2C9KDM4E
SCHEMBL4591593 0.71 PTGS1 (0.38) ALDH1A1CYP1A2CYP2C9TSHRCTH
SCHEMBL7462959 0.65 ALDH1A1 (0.61) ALDH1A1PKMCYP1A2KDM4EPOLB
SCHEMBL8892091 0.62 ALDH1A1 (1.00) ALDH1A1PKMCYP1A2APEX1KDM4E
SCHEMBL19709768 0.61 KMT2A (0.33) KMT2A
SCHEMBL25255933 0.61 ALDH1A1 (0.44) ALDH1A1PKMKDM4EPOLBMAPT
SCHEMBL10415663 0.60 CASP1 (0.38) TSHRCTHCBSTHPOKMT2A
Methoxyacetic Acid SCHEMBL3796358 0.59
SCHEMBL5569635 0.59 BCHE (0.43) ALDH1A1PKMCYP1A2MAPTTSHR

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
US-5346879-A FOR LOWERING THE CONTENT OF ENDOGENOUS ETHYLENE IN A PLANT SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-09-13 US disclosed
US-5228899-A Inhibition of ethylene formation SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-07-20 US disclosed
EP-0414572-A1 A plant growth regulator SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-02-27 EP disclosed