SCHEMBL20607652

SCHEMBL20607652

C=C(C)C(=O)CCOC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
LMNA P02545 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
HTR1A P08908 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNA7 P36544 1/20 0.43
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
THRB P10828 1/20 0.35
EPHX1 P07099 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13176135 0.88 TSHR (0.41) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL28243014 0.82
SCHEMBL28381521 0.82 ALDH1A1 (0.44) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL148042 0.80 ADRA2A (0.46) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL6695792 0.80 THRB (0.55) TSHRCHRM5CHRM1CHRM3TDP1
SCHEMBL31463659 0.80 THRB (0.36) TSHRTDP1THRBEPHX1ALDH1A1
SCHEMBL31605721 0.78 ADRA2A (0.45) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL7711519 0.77 ALOX15 (0.44) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL17449668 0.77 NAAA (0.45) TSHRLMNACYP2C19TDP1THRB
SCHEMBL18641404 0.77

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2902007-B1 DENTAL FILLING REPAIRING MATERIAL TOKUYAMA DENTAL CORP (JP) 2019-01-09 EP claimed
US-11618841-B2 Sealant material HENKEL AG & CO. KGAA (DE) 2023-04-04 US disclosed
US-20190241781-A1 SEALANT MATERIAL Henkel IP & Holding GmbH (DE) 2019-08-08 US disclosed