SCHEMBL28015669

SCHEMBL28015669

CCCOC(=O)CC=CCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
ALDH1A1 P00352 5/20 0.34
AKT1 P31749 1/20 0.33
MGLL Q99685 1/20 0.32
HTR2C P28335 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.31
FAAH O00519 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CNR1 P21554 1/20 0.31
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8029426 0.88 HCAR2 (0.45) HCAR2NAAADGKAALDH1A1MGLL
SCHEMBL27564152 0.82 HCAR2 (0.41) HCAR2NAAADGKAALDH1A1MGLL
SCHEMBL28841555 0.80 HCAR2 (0.44) HCAR2NAAADGKAALDH1A1MGLL
SCHEMBL5271282 0.80 ALDH1A1 (0.50) HCAR2NAAADGKAALDH1A1MGLL
SCHEMBL5911764 0.80 ALDH1A1 (0.50) HCAR2NAAADGKAALDH1A1MGLL
SCHEMBL28063346 0.78 HCAR2 (0.38) HCAR2NAAADGKAALDH1A1MGLL
SCHEMBL8196636 0.78 DGKA (0.42) HCAR2NAAADGKAALDH1A1MGLL
SCHEMBL10580042 0.78 DGKA (0.42) HCAR2NAAADGKAALDH1A1MGLL
SCHEMBL9579787 0.78 DGKA (0.42) HCAR2NAAADGKAALDH1A1MGLL
SCHEMBL11402127 0.77 TSHR (0.42) HCAR2ALDH1A1AKT1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104629510-B Preparation method of stripping boron nitride anticorrosive paint, paint obtained by preparation method and application of paint 大连理工大学 2017-06-27 CN disclosed
CN-104629510-A Preparation method of stripping boron nitride anticorrosive paint, paint obtained by preparation method and application of paint UNIV DALIAN TECH 2015-05-20 CN disclosed