SCHEMBL5246963

SCHEMBL5246963

CNCCOCCOC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
LMNA P02545 3/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
HTR1A P08908 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRNA7 P36544 1/20 0.42
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34

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
SCHEMBL5244733 1.00 TSHR (0.42) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL31181399 1.00 TSHR (0.42) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL5247896 0.87
Hydrochloric Acid SCHEMBL21066073 0.85
SCHEMBL22604915 0.82 MEN1 (0.43) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL24835739 0.82 TSHR (0.50) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL31591142 0.82 TSHR (0.50) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL30552236 0.82 TSHR (0.50) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL22882066 0.81 ALDH1A1 (0.56) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL24310095 0.81 ALDH1A1 (0.56) TSHRLMNACHRM2CHRM4CHRM5

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-1379598-B1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AG (DE) 2007-09-12 EP disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed