SCHEMBL9683114

SCHEMBL9683114

C=CC(=O)NC(=C)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 4/20 0.41
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
HPGD P15428 1/20 0.33
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33

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
SCHEMBL27973518 0.85 TSHR (0.39) ALDH1A1TSHRNPSR1SMN1; SMN2GAA
SCHEMBL9452579 0.82 EGLN1 (0.46) ALDH1A1TSHRNPSR1GLO1CYP2D6
SCHEMBL10934328 0.80 ALDH1A1 (0.38) ALDH1A1TSHRNPSR1GLO1CYP2D6
SCHEMBL30759831 0.79 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL8928249 0.78 ALDH1A1 (0.45) ALDH1A1TSHRNPSR1GLO1CYP2D6
SCHEMBL335110 0.78 MAPT (0.52) ALDH1A1TSHRNPSR1GLO1CYP2D6
SCHEMBL93928 0.78 GAA (0.41) ALDH1A1TSHRMGAMGAASI
SCHEMBL8755750 0.76 GAA (0.39) ALDH1A1TSHRMGAMGAASI
SCHEMBL27963209 0.76 GAA (0.39) ALDH1A1TSHRMGAMGAASI
SCHEMBL23188975 0.76 ALDH1A1 (0.44) ALDH1A1TSHRNPSR1GLO1CYP2D6

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-5095044-A Odorless, discoloration inhibition CIBA-GEIGY CORPORATION (US) 1992-03-10 US disclosed
US-4950795-A PRINTING PLATES, PAPER COATING CIBA-GEIGY CORPORATION (US) 1990-08-21 US disclosed