SCHEMBL8082230

SCHEMBL8082230

C=C(C(=O)OCC)N(CCC)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 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
SCHEMBL5004696 0.88 CA12 (0.44) ALDH1A1TSHRCA12CA9MAPT
SCHEMBL8081443 0.86 TSHR (0.40) ALDH1A1TSHRCA12CA2CA9
SCHEMBL515924 0.83 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL28082489 0.81 CA12 (0.41) ALDH1A1TSHRCA12CA2CA9
SCHEMBL28118792 0.79 TSHR (0.38) ALDH1A1TSHRCA12CA2CA9
SCHEMBL7501467 0.78 CA12 (0.43) ALDH1A1TSHRCA12CA2CA9
SCHEMBL11520664 0.78 ALDH1A1 (0.37) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL1325490 0.76 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL29518807 0.76 ALDH1A1 (0.41) ALDH1A1TSHRCA12CA2CA9
SCHEMBL220871 0.76 ALDH1A1 (0.48) ALDH1A1TSHRCA12CA2CA9

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
EP-0735426-B1 Radiation curable polymers and method of producing the same DAINIPPON INK & CHEMICALS (JP) 2000-10-11 EP disclosed
US-5847022-A Radiation curable resin composition and method therefor DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-12-08 US disclosed
EP-0735426-A1 Radiation curable polymers and method of producing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-02 EP disclosed