SCHEMBL22697117

SCHEMBL22697117

C=C(C)C(=O)OCc1ccc(/C=C(\C#N)C=O)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.37
MAPT P10636 6/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 3/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL16076545 0.82 ALDH1A1 (0.49) TP53MAPTTHRBL3MBTL1POLB
SCHEMBL17466017 0.81 MAPT (0.58) TP53MAPTTHRBPOLBTDP1
SCHEMBL21914195 0.77 TSHR (0.42) THRBL3MBTL1POLBTDP1SMN1; SMN2
SCHEMBL9323699 0.74 ALDH1A1 (0.42) TP53MAPTTHRBL3MBTL1POLB
SCHEMBL25916881 0.70 POLB (0.46) MAPTTHRBL3MBTL1POLBTDP1
SCHEMBL24050687 0.70 THRB (0.36) MAPTTHRBPOLBTDP1KDM4E
SCHEMBL22697144 0.68 TP53 (0.59) TP53MAPTTHRBPOLBTDP1
SCHEMBL51038 0.67 ALDH1A1 (0.55) TP53MAPTL3MBTL1POLBTDP1
SCHEMBL25863970 0.66 TSHR (0.40) THRBL3MBTL1POLBTDP1KDM4E
SCHEMBL17465804 0.66 MAPT (0.57) TP53MAPTTHRBL3MBTL1POLB

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-3172272-B1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2020-11-25 EP disclosed