SCHEMBL21753733

SCHEMBL21753733

CCCCOC(=O)CC(C)=O.CCOC(=O)CC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.54
GAA P10253 2/20 0.54
SI P14410 2/20 0.54
MGAM2 Q2M2H8 2/20 0.54
ALDH1A1 P00352 3/20 0.54
FAAH O00519 2/20 0.49
NAAA Q02083 1/20 0.48
ATM Q13315 1/20 0.45
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.43
TSHR P16473 3/20 0.42
HPGD P15428 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPA1 O75762 1/20 0.40
ACHE P22303 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
SCHEMBL241731 0.94 ALDH1A1 (0.60) MGAMGAASIMGAM2ALDH1A1
Acetic Acid Butyl Ester SCHEMBL29539673 0.92 ALDH1A1 (0.67) MGAMGAASIMGAM2ALDH1A1
SCHEMBL531120 0.92 ALDH1A1 (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8986788 0.92 ALDH1A1 (0.58) MGAMGAASIMGAM2ALDH1A1
Ethane SCHEMBL28102727 0.92 ALDH1A1 (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23093496 0.92 ALDH1A1 (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28346734 0.92 ALDH1A1 (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28368746 0.92 ALDH1A1 (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28172047 0.92 ALDH1A1 (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3282093 0.90 ALDH1A1 (0.56) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020039860-A1 STRUCTURE HAVING FLOW CHANNEL, AND METHOD FOR MANUFACTURING SAME キヤノン株式会社 2020-02-27 WO disclosed