SCHEMBL6290258

SCHEMBL6290258

CCCCNCC(C)(C)COC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 3/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
ADRA1A P35348 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 10/20 0.37
ALOX15 P16050 2/20 0.36
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL6287636 0.87 LMNA (0.56) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5247594 0.85 LMNA (0.44) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL6286835 0.82 LMNA (0.48) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5250402 0.82 EPHX1 (0.46) TSHRNFKB1ACHEPOLBSMN1; SMN2
SCHEMBL6287769 0.82 LMNA (0.42) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5247492 0.82 ACHE (0.56) ACHEALOX15GAA
SCHEMBL6285470 0.81 ACHE (0.46) TSHRACHEALOX15
SCHEMBL6284226 0.76 EPHX1 (0.37) TSHRACHEALOX15POLBSMN1; SMN2
SCHEMBL16510978 0.74 TSHR (0.41) TSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL5244921 0.74 LMNA (0.47) LMNAHSD17B10TSHRCYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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