SCHEMBL25751543

SCHEMBL25751543

COC(=O)CCCCN1CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
PAOX Q6QHF9 1/20 0.50
FPR3 P25089 1/20 0.50
FPR2 P25090 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
GLA P06280 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
KAT2B Q92831 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRA2C P18825 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL9856869 0.94 SMN1; SMN2 (0.53) TSHRPAOXFPR3FPR2SMN1; SMN2
SCHEMBL28390299 0.94 PAOX (0.53) TSHRPAOXFPR3FPR2SMN1; SMN2
SCHEMBL15150928 0.94 TSHR (0.54) TSHRPAOXFPR3FPR2SMN1; SMN2
SCHEMBL15920926 0.93 HRH3 (0.54) TSHRPAOXFPR3FPR2SMN1; SMN2
SCHEMBL20179502 0.93 HRH3 (0.54) TSHRPAOXFPR3FPR2SMN1; SMN2
SCHEMBL1856574 0.90 SMN1; SMN2 (0.57) TSHRPAOXFPR3FPR2SMN1; SMN2
SCHEMBL2127041 0.89 SMN1; SMN2 (0.60) TSHRFPR3FPR2SMN1; SMN2CYP1A2
SCHEMBL11732584 0.89 SMN1; SMN2 (0.60) TSHRFPR3FPR2SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL4924873 0.87 SMN1; SMN2 (0.58) TSHRFPR3FPR2SMN1; SMN2CYP1A2
SCHEMBL11570934 0.86 TSHR (0.58) TSHRPAOXFPR3FPR2SMN1; SMN2

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
EP-3860561-B1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS INC (US) 2023-06-21 EP disclosed