SCHEMBL14587474

SCHEMBL14587474

C=C(CCCOC(N)=O)COC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
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
TSHR P16473 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
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL14619622 0.87 CHRM2 (0.40) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL14587526 0.81 TSHR (0.43) LMNACHRNB2CHRNA4TSHRCHRNB4
SCHEMBL246628 0.75 LMNA (0.43) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2746597 0.74 TSHR (0.52) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2745809 0.74 LMNA (0.52) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL10457075 0.73 ALOX15 (0.33) ALOX15
SCHEMBL20558221 0.73 LMNA (0.38) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL13176135 0.73 TSHR (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL27645090 0.73 LMNA (0.48) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28542408 0.72 LMNA (0.40) LMNACHRM2CHRM4CHRM5CHRM1

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
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed