SCHEMBL9119785

SCHEMBL9119785

CCOC(=O)C(C#N)COC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.34
CTSK P43235 1/20 0.34
ALOX15 P16050 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2C9 P11712 1/20 0.33
SOAT1 P35610 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL28662035 0.85 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8921075 0.84 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10222122 0.83 SMN1; SMN2 (0.34) ALDH1A1TSHRSMN1; SMN2
SCHEMBL10920266 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10902100 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL890388 0.79 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9117608 0.78 USP2 (0.44) MEN1KMT2AHTTMAPTCYP3A4
SCHEMBL2002088 0.78 MEN1 (0.40) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL17147680 0.78 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9183202 0.78 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995026371-A1 INTERMEDIATES FOR THE PREPARATION OF POLY(CYANOACRYLATES) AND APPLICATIONS OF THE POLY(CYANOACRYLATES) SO PREPARED PATRIQUE LIMITED (IE) 1995-10-05 WO disclosed