SCHEMBL257206

SCHEMBL257206

C=CC(=C)CCNC(=O)C=C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
TGM2 P21980 5/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL20081677 0.87 ZDHHC20 (0.55) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10952688 0.80 TSHR (0.68) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL167051 0.80 TSHR (0.68) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL20081670 0.79 ZDHHC20 (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL35714 0.79 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL22675564 0.79 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL166492 0.78 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
Water SCHEMBL28173091 0.78 TSHR (0.65) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL2059656 0.77 ZDHHC20 (0.53) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL2364077 0.77 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20

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-2012028825-A1 ULTRA-THIN FILMS OF MOLECULARLY IMPRINTED POLYMERS CONFINED TO THE SURFACE OF A SUBSTRATE UNIVERSITE PARIS DIDEROT-PARIS 7 (FR) 2012-03-08 WO disclosed