SCHEMBL23409576

SCHEMBL23409576

CCC(=O)NC(C)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
TSHR P16473 3/20 0.42
TRPV1 Q8NER1 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
GALR3 O60755 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
ACACB O00763 3/20 0.36
ALOX15 P16050 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PSMB5 P28074 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL14890562 0.83 TSHR (0.42) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL27520159 0.81 TSHR (0.41) TSHRTRPV1CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL27788816 0.79 TSHR (0.39) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL8084218 0.77
SCHEMBL10499840 0.77 TSHR (0.50) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL28500937 0.76 TSHR (0.41) CYP2C9TSHRACACBMEN1KMT2A
SCHEMBL8084391 0.76 CYP2C9 (0.45) CYP2C9ACACBMEN1KMT2APSMB5
SCHEMBL8076302 0.76 CYP2C9 (0.45) CYP2C9TSHRACACBMEN1KMT2A
SCHEMBL3376216 0.73
SCHEMBL9292556 0.73 TSHR (0.46) TSHRTRPV1CHRM2CHRM4CHRM1

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-2021108649-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2021-06-03 WO disclosed