SCHEMBL22697175

SCHEMBL22697175

CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(/C=C(\C#N)C(=O)OCC)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 8/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 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
TDP1 Q9NUW8 2/20 0.48
DNM1 Q05193 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MIF P14174 1/20 0.48
TP53 P04637 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46

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
SCHEMBL17465995 0.96 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL22697174 0.94 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL17466927 0.88 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL22697146 0.83 TP53 (0.63) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL11959846 0.82 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL994759 0.80 DNM1 (0.60) ALDH1A1MEN1KMT2AMAPTPDCD1
SCHEMBL994758 0.80 DNM1 (0.60) ALDH1A1MEN1KMT2AMAPTPDCD1
SCHEMBL11959839 0.80 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL10673099 0.80 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL10673110 0.80 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTPOLB

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