SCHEMBL23489684

SCHEMBL23489684

C=CCOCC(=C)C(=O)Oc1ccc(C(=O)OCC(F)(F)F)c(C(=O)OCC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 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
SCHEMBL23489582 0.85 ADRB2 (0.37) ALDH1A1CYP3A4MEN1KMT2ARAB9A
SCHEMBL23489458 0.78 KIF11 (0.42) ALDH1A1RAB9ALMNAMAPK1
SCHEMBL23489560 0.71 TDP1 (0.34) TDP1
SCHEMBL352678 0.71 LMNA (0.42) ALDH1A1KMT2ANPC1GAAMAPT
SCHEMBL351044 0.70 CYP3A4 (0.40) ALDH1A1CYP3A4MEN1KMT2ATSHR
SCHEMBL352554 0.70 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL10468140 0.70 ALDH1A1 (0.64) ALDH1A1CYP3A4MEN1KMT2ANPSR1
SCHEMBL23474737 0.69 ELANE (0.40) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL23489698 0.68 LMNA (0.35) RAB9ALMNAMAPK1
SCHEMBL23489694 0.68 ADRB2 (0.40) ALDH1A1MEN1KMT2ARAB9ANPC1

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
WO-2021111913-A1 RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, POLYMER, AND COMPOUND JSR株式会社 2021-06-10 WO disclosed