SCHEMBL1990863

SCHEMBL1990863

C=C(C#N)C(=O)OC(CC)CC(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TSHR P16473 2/20 0.57
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPA1 O75762 1/20 0.32
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM1 P11229 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTP4A1 Q93096 1/20 0.30

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
SCHEMBL2297614 0.93 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C9
SCHEMBL540819 0.88 ALDH1A1 (0.54) ALDH1A1TSHRMGAMGAASI
SCHEMBL1990973 0.86 ALDH1A1 (0.51) ALDH1A1TSHRMGAMGAASI
SCHEMBL1984781 0.85 ALDH1A1 (0.54) ALDH1A1TSHRMGAMGAASI
SCHEMBL1987524 0.85 TSHR (0.50) ALDH1A1TSHRGAACYP2C9MAPT
SCHEMBL5889388 0.84 ALDH1A1 (0.57) ALDH1A1TSHRCYP2C9
SCHEMBL540851 0.83 ALDH1A1 (0.59) ALDH1A1TSHRMGAMGAASI
SCHEMBL25779943 0.81 MGAM (0.42) ALDH1A1TSHRMGAMGAASI
SCHEMBL15519639 0.78 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL1924504 0.76 TSHR (0.49) ALDH1A1TSHR

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
US-20110152924-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC 2011-06-23 US claimed
US-20110152924-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC 2011-06-23 US disclosed