SCHEMBL9732689

SCHEMBL9732689

CCN1C(=O)C=C(OC2=CC(=O)N(CC)C2=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
BLM P54132 2/20 0.44
MAPT P10636 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MGLL Q99685 1/20 0.44
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CTRC Q99895 1/20 0.39
CYP1B1 Q16678 1/20 0.37
HPGD P15428 2/20 0.34
CASP1 P29466 1/20 0.34
MPI P34949 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL27892373 0.83 ALDH1A1 (0.41) ALDH1A1BLMMAPTGMNNLMNA
SCHEMBL2126254 0.83 ALDH1A1 (0.41) ALDH1A1BLMMAPTGMNNLMNA
SCHEMBL4011867 0.73 ALDH1A1 (0.48) ALDH1A1BLMMAPTGMNNLMNA
SCHEMBL20216186 0.73 ALDH1A1 (0.48) ALDH1A1BLMMAPTGMNNLMNA
SCHEMBL988699 0.71 ALDH1A1 (0.46) ALDH1A1BLMMAPTGMNNLMNA
SCHEMBL3470129 0.71 RGS4 (0.53) ALDH1A1BLMMAPTGMNNLMNA
SCHEMBL1010796 0.71 ALDH1A1 (0.46) ALDH1A1BLMMAPTGMNNLMNA
SCHEMBL14136363 0.71 ALDH1A1 (0.46) ALDH1A1BLMMAPTGMNNLMNA
SCHEMBL4741750 0.70 MGLL (0.44) ALDH1A1BLMMAPTGMNNLMNA
SCHEMBL27960233 0.69 CYP3A4 (0.34) ALDH1A1MAPTMGLLSMN1; SMN2MEN1

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-5082598-A Thermosetting unsaturated ester, thiuram compound, crosslinking agent, copper compound NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1992-01-21 US disclosed
US-4837280-A ACRYLATE GROUP-CONTAINING POLYAROMATIC AMINE COMPOUNDS TO FORM THERMOSETTING RESINS; HEAT RESISTANCE NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1989-06-06 US disclosed
US-4212959-A MALEIMIDE COMPOUNDS, DIEPOXY COMPOUNDS; NON-SOLVENT VARNISH MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1980-07-15 US disclosed