SCHEMBL6916161

SCHEMBL6916161

C=C(C(=O)NC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 1/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
GPR35 Q9HC97 2/20 0.36
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL259628 0.81
SCHEMBL13269637 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTSHREGLN1SMN1; SMN2
SCHEMBL28293945 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTSHREGLN1SMN1; SMN2
SCHEMBL79588 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTSHREGLN1SMN1; SMN2
SCHEMBL3105862 0.81 ALDH1A1 (0.44) ALDH1A1MAPTTSHREGLN1SMN1; SMN2
SCHEMBL27827277 0.81 EGLN1 (0.47) ALDH1A1MAPTTSHREGLN1SMN1; SMN2
SCHEMBL11172572 0.79 TSHR (0.38) ALDH1A1TSHRSMN1; SMN2CYP2D6LMNA
SCHEMBL28103293 0.79 ALDH1A1 (0.43) ALDH1A1MAPTTSHREGLN1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28294025 0.79 ALDH1A1 (0.54) ALDH1A1MAPTTSHREGLN1SMN1; SMN2
SCHEMBL28099320 0.79 ALDH1A1 (0.54) ALDH1A1MAPTTSHREGLN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004061021-A1 MINERAL DISPERSIONS CONTAINING CARBOXYMETHYLCELLULOSE ACETATE BUTYRATE AND THEIR USE AS FLATTING AGENTS IN COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2004-07-22 WO disclosed
EP-0005379-B2 PHOTOSENSITIVE COMPOSITIONS CONTAINING CARBONYLIC HALIDES AS ACTIVATORS Dynachem Corporation (US) 1986-06-04 EP disclosed
US-4552830-A UNSATURATED COMPOUND, FREE RADICAL-PRODUCING PHOTOINITIATOR FLUORA COLOR FORMER, PROTON DONOR DYNACHEM CORPORATION (US) 1985-11-12 US disclosed
US-4343885-A PHOTORESISTS DYNACHEM CORPORATION (US) 1982-08-10 US disclosed
EP-0005380-B1 PHOTOTROPIC PHOTOSENSITIVE COMPOSITIONS CONTAINING A FLUORAN COLORFORMER Dynachem Corporation (US) 1982-01-06 EP disclosed
EP-0005379-B1 PHOTOSENSITIVE COMPOSITIONS CONTAINING CARBONYLIC HALIDES AS ACTIVATORS Dynachem Corporation (US) 1981-12-23 EP disclosed
US-4303695-A ACTINIC RADIATION CURABLE COATING BISCAYNE DECORATIVE PRODUCTS, INC. (US) 1981-12-01 US disclosed
US-4210693-A FLOOR TILES AND WALL COVERINGS DOWDFLOR CORPORATION (US) 1980-07-01 US disclosed
EP-0005380-A2 Phototropic photosensitive compositions containing a fluoran colorformer Dynachem Corporation (US) 1979-11-14 EP disclosed
EP-0005379-A2 Photosensitive compositions containing carbonylic halides as activators Dynachem Corporation (US) 1979-11-14 EP disclosed
US-4100318-A Actinic radiation cured coating for cushioned sheet goods and method DOWDFLOR CORPORATION (US) 1978-07-11 US disclosed
US-4003751-A CARBAMOYLOXYALKYL ACRYLATES UNION CARBIDE CORPORATION (US) 1977-01-18 US disclosed
US-3966572-A Photocurable low gloss coatings containing silica and acrylic acid UNION CARBIDE CORPORATION (US) 1976-06-29 US disclosed
US-3939126-A Acrylyl-terminated urea-urethane compositions UNION CARBIDE CORPORATION (US) 1976-02-17 US disclosed