SCHEMBL20008880

SCHEMBL20008880

CC(F)(F)COC(=O)C1CCC(C(=O)OCCS(=O)(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 6/20 0.32
MAPT P10636 3/20 0.32
TSHR P16473 3/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL18775925 0.84 KMT2A (0.33) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL25845163 0.78 MEN1 (0.32) MEN1KMT2ATSHRHSD17B10GAA
SCHEMBL10172865 0.78 KMT2A (0.30) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL18775801 0.77 SMN1; SMN2 (0.37) KMT2ARAB9AALDH1A1MAPTPOLB
SCHEMBL10067085 0.77 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL20008898 0.77
SCHEMBL18775811 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTADRB2
SCHEMBL18776003 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTADRB2
SCHEMBL18775804 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTADRB2
SCHEMBL18775805 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTADRB2

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
US-20180085019-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed