SCHEMBL22697132

SCHEMBL22697132

CCOC(=O)/C(C#N)=C/c1ccc(COC(=O)CCCCC(=O)OCc2ccc(CC)o2)o1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
TP53 P04637 5/20 0.53
THRB P10828 1/20 0.53
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MIF P14174 1/20 0.45
KDM4E B2RXH2 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PKM P14618 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HTT P42858 1/20 0.41
PTP4A1 Q93096 1/20 0.40

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
SCHEMBL17465804 0.96 MAPT (0.57) MAPTTP53THRBPOLBTDP1
SCHEMBL17466017 0.81 MAPT (0.58) MAPTTP53THRBPOLBTDP1
SCHEMBL17466022 0.80 MAPT (0.65) MAPTTP53THRBPOLBTDP1
SCHEMBL6473523 0.78 ELANE (0.46) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL17465996 0.74 MAPT (0.66) MAPTTP53THRBPOLBTDP1
SCHEMBL19034414 0.73 MAPT (0.48) MAPTTP53THRBALDH1A1MEN1
SCHEMBL22697146 0.72 TP53 (0.63) MAPTTP53THRBPOLBTDP1
SCHEMBL10718942 0.71 MAPT (0.62) MAPTTP53THRBPOLBTDP1
SCHEMBL10718939 0.71 MAPT (0.62) MAPTTP53THRBPOLBTDP1
SCHEMBL10253178 0.70 MAPT (0.43) MAPTTP53THRBPOLBTDP1

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