SCHEMBL1275715

SCHEMBL1275715

CCO/C(C(=O)O)=C(/C#N)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
GAA P10253 2/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
HTT P42858 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 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
SCHEMBL1275346 0.83 ALDH1A1 (0.40) ALDH1A1TSHRLMNAL3MBTL1SMN1; SMN2
SCHEMBL1275389 0.79
SCHEMBL1275393 0.73 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C9KMT2AMEN1
SCHEMBL5285191 0.72 ALDH1A1 (0.42) ALDH1A1TSHRMAPTLMNAHSD17B10
SCHEMBL11658288 0.72 ALDH1A1 (0.53) ALDH1A1TSHRMAPTLMNAHSD17B10
SCHEMBL1275717 0.72 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C9KMT2AMEN1
SCHEMBL541121 0.71 GRIK1 (0.33)
SCHEMBL1275718 0.70 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C9KMT2AMEN1
SCHEMBL1274501 0.70 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C9KMT2AMEN1
SCHEMBL21525695 0.68 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C9KMT2AMEN1

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
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP claimed
EP-1951831-B1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO KGAA (DE) 2011-02-23 EP disclosed