SCHEMBL28230754

SCHEMBL28230754

C=C(C)C(=O)CCOC(=O)CC(C)=O.[Ti]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
EPHX1 P07099 1/20 0.33
THRB P10828 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 4/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
DGKA P23743 1/20 0.31

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
SCHEMBL28080284 0.98 MGAM (0.43) MGAMGAASIMGAM2EPHX1
SCHEMBL16882775 0.87 MGAM (0.40) MGAMGAASIMGAM2THRB
SCHEMBL16882944 0.85 TSHR (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL148042 0.84 ADRA2A (0.46) MGAMGAASIMGAM2EPHX1
SCHEMBL31605721 0.82 ADRA2A (0.45) MGAMGAASIMGAM2EPHX1
SCHEMBL10935011 0.82 MGAM (0.46) MGAMGAASIMGAM2EPHX1
SCHEMBL17449668 0.80 NAAA (0.45) MGAMGAASIMGAM2THRB
SCHEMBL431809 0.79 GAA (0.52) MGAMGAASIMGAM2ADRA2A
SCHEMBL25845054 0.78 DGKA (0.44) MGAMGAASIMGAM2THRB
SCHEMBL27924165 0.78 THRB (0.55) MGAMGAASIMGAM2THRB

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
CN-105814144-B The method that abradable coating is deposited under polymer gel 通用电气公司 2018-07-06 CN disclosed