SCHEMBL26099424

SCHEMBL26099424

NC(=O)OCCOCCOCCOCCOCCOCCOCCBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
LMNA P02545 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
HTR1A P08908 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 1/20 0.41
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
BLM P54132 1/20 0.32

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
SCHEMBL18496770 1.00 TSHR (0.41) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL16417088 1.00 TSHR (0.41) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL26101999 1.00 TSHR (0.41) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL19611876 1.00 TSHR (0.41) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL24835739 0.87 TSHR (0.50) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL30552236 0.87 TSHR (0.50) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL31591142 0.87 TSHR (0.50) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL23302849 0.86 LMNA (0.40) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL2346516 0.85
Hydrochloric Acid SCHEMBL29132347 0.82

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-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed