SCHEMBL28984124

SCHEMBL28984124

CCCNC(=O)CCOC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
CASP2 P42575 1/20 0.41
MCL1 Q07820 1/20 0.41
TSHR P16473 2/20 0.40
CNR1 P21554 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
LMNA P02545 2/20 0.39
HTR1A P08908 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA7 P36544 1/20 0.39
NAAA Q02083 1/20 0.39
CTSD P07339 1/20 0.39
FAAH O00519 4/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL29260578 0.86 CASP2 (0.62) CASP2NAAAFAAHDNM1L3MBTL1
SCHEMBL17125690 0.80 FAAH (0.54) CASP2CNR1NAAAFAAHDNM1
SCHEMBL1562241 0.80 CASP2 (0.44) CASP2MCL1TSHRCNR1NAAA
SCHEMBL2124170 0.78 TSHR (0.59) CASP2MCL1TSHRCNR1LMNA
SCHEMBL28463146 0.77 KDM4E (0.46) ALOX15TSHRCHRM2CHRM4CHRM5
SCHEMBL6500627 0.77 TSHR (0.40) ALOX15TSHRCHRM2CHRM4CHRM5
SCHEMBL9787194 0.77 TSHR (0.55) CASP2MCL1TSHRCNR1LMNA
SCHEMBL3351989 0.76 CASP2 (0.56) CASP2MCL1TSHRCNR1NAAA
SCHEMBL1562239 0.76 CASP2 (0.44) CASP2MCL1TSHRCNR1NAAA
SCHEMBL2119757 0.76 SMN1; SMN2 (0.46) CASP2MCL1TSHRCNR1NAAA

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
CN-115768765-A Methods and compounds for treating genetic diseases 设计治疗公司 2023-03-07 CN disclosed