SCHEMBL6286835

SCHEMBL6286835

CCNCC(C)(C)COC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX15 P16050 1/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
ADRA1A P35348 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 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
SCHEMBL5246576 0.85 LMNA (0.58) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL5245772 0.82 LMNA (0.46) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL6290258 0.82 LMNA (0.47) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL5244921 0.80 LMNA (0.47) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL6280238 0.79 LMNA (0.43) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL5246562 0.79 CHRNB2 (0.38) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5247597 0.79 EPHX1 (0.39) LMNATSHRCYP3A4NFKB1ADRA1A
SCHEMBL29728513 0.79 LMNA (0.58) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL222664 0.77 LMNA (0.57) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL18850560 0.73 LMNA (0.55) LMNATSHRCYP3A4RAB9ATDP1

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