SCHEMBL28515744

SCHEMBL28515744

C#CCOCCOCCOCCOCCOC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
LMNA P02545 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
HTR1A P08908 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL26924598 1.00 TSHR (0.47) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL13737752 0.98 TSHR (0.48) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL28715308 0.90 TSHR (0.52) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL27166334 0.86 TSHR (0.55) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL28715324 0.86 TSHR (0.55) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL24835739 0.82 TSHR (0.50) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL30552236 0.82 TSHR (0.50) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL31591142 0.82 TSHR (0.50) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL19369844 0.79 TSHR (0.52) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL19369592 0.79 TSHR (0.52) TSHRSLC1A3SLC1A2SLC1A1

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
CN-118103074-A Cytotoxic targeting chimeras for CCR2 expressing cells 葛兰素史克知识产权发展有限公司 2024-05-28 CN disclosed
CN-110603330-B Oligonucleotide derivative or salt thereof 协和麒麟株式会社 2023-09-05 CN disclosed
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed