SCHEMBL3315745

SCHEMBL3315745

C=CC(=O)NN(CC)NC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
TGM2 P21980 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 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
SCHEMBL3319884 0.82 ZDHHC20 (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27129866 0.81 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28053903 0.79
Hydrochloric Acid SCHEMBL28195094 0.77 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28347922 0.76 TSHR (0.38) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL176142 0.73 TSHR (0.35) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL471967 0.72
SCHEMBL5682118 0.71 ZDHHC20 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29207900 0.70
Hydrochloric Acid SCHEMBL28164352 0.70

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
EP-1645297-B1 Biodegradable absorbent material KIMBERLY CLARK CO (US) 2010-06-16 EP claimed