SCHEMBL22697146

SCHEMBL22697146

CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(/C=C(\C#N)C(=O)OCC)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.63
MAPT P10636 6/20 0.61
THRB P10828 1/20 0.61
POLB P06746 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PKM P14618 2/20 0.48

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
SCHEMBL17466000 0.96 TP53 (0.67) TP53MAPTTHRBPOLBTDP1
SCHEMBL17465992 0.92 TP53 (0.62) TP53MAPTTHRBPOLBTDP1
SCHEMBL22697144 0.89 TP53 (0.59) TP53MAPTTHRBPOLBTDP1
SCHEMBL22697175 0.83 ALDH1A1 (0.66) TP53MAPTPOLBTDP1ALDH1A1
SCHEMBL17465797 0.82 POLB (0.73) TP53MAPTTHRBPOLBTDP1
SCHEMBL994759 0.80 DNM1 (0.60) TP53MAPTTHRBTDP1ALDH1A1
SCHEMBL994758 0.80 DNM1 (0.60) TP53MAPTTHRBTDP1ALDH1A1
SCHEMBL17465996 0.80 MAPT (0.66) TP53MAPTTHRBPOLBTDP1
SCHEMBL7106941 0.79 DNM1 (0.57) TP53MAPTPOLBALDH1A1KMT2A
SCHEMBL17466022 0.79 MAPT (0.65) TP53MAPTTHRBPOLBTDP1

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