SCHEMBL19674752

SCHEMBL19674752

O=C1C=C(SC(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
CDC25B P30305 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL28516206 0.75 TDP1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL14031523 0.73 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL26066765 0.73 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL30311836 0.70 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL9646712 0.70 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL24729680 0.68 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL20286414 0.68 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3075682 0.68 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL18515958 0.68 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL29716598 0.68 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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-1988910-B1 ACRYLOYLOXYETHYLPHOSPHORYLCHOLINE CONTAINING POLYMER CONJUGATES AND THEIR PREPARATION KODIAK SCIENCES INC (US) 2017-12-06 EP disclosed