SCHEMBL8847261

SCHEMBL8847261

C=C(C)C(=O)N(CCC)CC(C)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32
CA1 P00915 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
SCHEMBL28325486 0.89 CA12 (0.40) CA12CA2CA9TSHRALDH1A1
SCHEMBL1260015 0.86 TSHR (0.34) CA12CA2CA9TSHRTDP1
SCHEMBL1260004 0.85 TSHR (0.31) TSHR
Methacrylic Acid SCHEMBL6672545 0.82 CA12 (0.34) CA12CA2CA9TSHRMAPK1
SCHEMBL154162 0.82 CA12 (0.46) CA12CA2CA9TSHRMAPK1
SCHEMBL26490683 0.80 CA12 (0.41) CA12CA2CA9TSHRMAPK1
SCHEMBL375752 0.78 CA12 (0.43) CA12CA2CA9TSHRMAPK1
SCHEMBL20274393 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL7632460 0.76 TET2 (0.34) TP53
SCHEMBL6509834 0.76 TDP1 (0.33) TDP1

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
US-5674668-A Photographic recording material AGFA-GEVAERT (DE) 1997-10-07 US disclosed