SCHEMBL5246152

SCHEMBL5246152

CCNC(=O)OCC(C)(CNC)CNC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
ADRA1A P35348 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.36
EPHX1 P07099 1/20 0.34
ACHE P22303 8/20 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
SCHEMBL5247861 0.87 KMT2A (0.38) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL5245005 0.85 MEN1 (0.39) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL5247134 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL5249266 0.84 ACHE (0.56) EPHX1ACHE
SCHEMBL5249089 0.84 NFKB1 (0.39) SMN1; SMN2CHRNB2CHRNA4ALDH1A1TSHR
SCHEMBL5244120 0.81 MEN1 (0.37) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL5244425 0.80 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL8371391 0.79 CHRNB2 (0.43) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL5247798 0.78 ACHE (0.47) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL5245764 0.76 LMNA (0.57) CHRNB2CHRNA4TSHRLMNACYP3A4

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