SCHEMBL27460841

SCHEMBL27460841

CN(C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
ALOX15 P16050 1/20 0.56
AKR1C3 P42330 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
HMGB1 P09429 2/20 0.44
NAPRT Q6XQN6 2/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
GGT1 P19440 1/20 0.44

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
SCHEMBL27903557 0.92 TSHR (0.50) ALDH1A1ALOX15POLBKDM4EHPGD
SCHEMBL27274292 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR
Phthalic Acid SCHEMBL11771802 0.80 ALDH1A1 (0.78) ALDH1A1ALOX15AKR1C3POLBKDM4E
Phthalic Acid SCHEMBL5875361 0.80 ALDH1A1 (0.78) ALDH1A1ALOX15AKR1C3POLBKDM4E
Phthalic Acid SCHEMBL5875366 0.80 ALDH1A1 (0.78) ALDH1A1ALOX15AKR1C3POLBKDM4E
SCHEMBL9315635 0.80 LMNA (0.62) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL709106 0.80 KMT2A (0.51) HPGDTSHRESR1LMNAMAPT
SCHEMBL26598423 0.79 TSHR (0.75) ALDH1A1KDM4EHSD17B10TSHRTDP1
SCHEMBL19136737 0.78 ALDH1A1 (0.63) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL10588008 0.77 L3MBTL1 (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR

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
CN-1123800-C Use of pigment yellow 155 in electrophotographic toners and developers, powder coatings and inkjet inks CLARIANT GMBH (DE) 2003-10-08 CN disclosed
CN-1214473-A Use of pigment yellow 155 in electrophotographic toners and developers, powder coatings and inkjet inks CLARIANT GMBH (DE) 1999-04-21 CN disclosed