SCHEMBL28899301

SCHEMBL28899301

CCCCC=C(CCCC)C(=O)OCCCN

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
CNR1 P21554 1/20 0.38
ATM Q13315 1/20 0.37
TSHR P16473 3/20 0.37
HTR2C P28335 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 2/20 0.33
SLC6A5 Q9Y345 2/20 0.33
FAAH O00519 2/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33

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
SCHEMBL5052694 0.92 ALDH1A1 (0.46) GRIK1ALDH1A1MAPTTHRBCNR1
SCHEMBL8511887 0.91 FAAH (0.43) ALDH1A1MAPTTHRBCNR1TSHR
SCHEMBL2867199 0.90 ATM (0.46) GRIK1ALDH1A1MAPTATMTSHR
SCHEMBL6312933 0.90 ATM (0.46) GRIK1ALDH1A1MAPTATMTSHR
SCHEMBL27976273 0.89 ATM (0.44) GRIK1ALDH1A1MAPTATMTSHR
SCHEMBL8513461 0.85 GRIK1 (0.41) GRIK1ALDH1A1MAPTTHRBCNR1
SCHEMBL27884984 0.84 TSHR (0.46) ALDH1A1MAPTATMTSHRCYP1A2
SCHEMBL27489409 0.83 MAPT (0.50) ALDH1A1MAPTTHRBCNR1CYP1A2
SCHEMBL10740343 0.82 ATM (0.44) GRIK1ALDH1A1MAPTTHRBCNR1
SCHEMBL22070461 0.82 TSHR (0.47) MAPTTSHRCYP1A2HCAR2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535973-B Two-component aqueous polyurethane coating composition with thixotropic flow characteristic and preparation method thereof 中国海洋石油集团有限公司 2021-07-09 CN disclosed
CN-109554048-B Baking type water-based acrylic acid middle coating composition with anti-sagging characteristic and preparation method thereof 中国海洋石油集团有限公司 2021-01-19 CN disclosed
CN-109554093-B Two-component waterborne polyurethane floating coating composition with anti-sagging characteristic and preparation method thereof 中国海洋石油集团有限公司 2020-12-11 CN disclosed
CN-109608970-B Baking type water-based acrylic coating composition with excellent thixotropy and preparation method thereof 中国海洋石油集团有限公司 2020-10-16 CN disclosed