SCHEMBL9958252

SCHEMBL9958252

C=COCCCCOC(=O)CCCCCCCCCCCCCCCCC.C=COCCCCOC(=O)c1ccc(C(=O)OCCCCOC=C)c(C(=O)OCCCCOC=C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ESR1 P03372 3/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
DGKA P23743 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL218327 0.86 TSHR (0.45) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL20323198 0.84 HDAC6 (0.46) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL829029 0.83 TSHR (0.69) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL317667 0.83 TSHR (0.69) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL15223 0.83 TSHR (0.69) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL23753690 0.83 TSHR (0.69) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL316147 0.83 TSHR (0.69) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL316163 0.83 TSHR (0.69) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL20695685 0.83 TSHR (0.69) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL9737629 0.83 TSHR (0.69) TSHRALDH1A1LMNAMAPK1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097458-B2 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2016-12-28 EP disclosed
EP-2121771-B2 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2016-12-07 EP disclosed
EP-2121771-B1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2012-06-27 EP disclosed