SCHEMBL5246576

SCHEMBL5246576

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
HSD17B10 Q99714 1/20 0.58
TSHR P16473 3/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
ADRA1A P35348 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 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
SCHEMBL6286835 0.85 LMNA (0.48) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5245772 0.82 LMNA (0.46) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL6287636 0.82 LMNA (0.56) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5247134 0.81 SMN1; SMN2 (0.40) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5245764 0.80 LMNA (0.57) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL6280238 0.79 LMNA (0.43) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5249789 0.79 EPHX1 (0.39) LMNAHSD17B10TSHRCYP3A4NFKB1
Meprobamate SCHEMBL3056097 0.74 LMNA (1.00) LMNAHSD17B10TSHRCYP3A4NFKB1
Meprobamate SCHEMBL15286 0.74 LMNA (1.00) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5246050 0.73 ACHE (0.54) ALOX15

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