SCHEMBL6287596

SCHEMBL6287596

CCNC(=O)NCC(C)(C)CNC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
EPHX1 P07099 2/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6290154 0.83 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10ALDH1A1TSHRMMP1
SCHEMBL6284237 0.83 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MMP1MMP2MMP3
SCHEMBL6285495 0.83 HSD17B10 (0.39) SMN1; SMN2HSD17B10TSHRL3MBTL1LMNA
SCHEMBL9870399 0.82 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MMP1MMP2MMP3
SCHEMBL6289592 0.81 EPHX1 (0.55) MMP1MMP2EPHX2EPHX1
SCHEMBL6285467 0.81 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MMP1MMP2MMP3
SCHEMBL622102 0.81 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10ALDH1A1TSHRMMP1
SCHEMBL6280382 0.78 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MMP1MMP2MMP3
SCHEMBL6284448 0.76 EPHX1 (0.44) SMN1; SMN2TSHRMMP1MMP2L3MBTL1
SCHEMBL21452807 0.76 SMN1; SMN2 (0.41) SMN1; SMN2HSD17B10ALDH1A1TSHRL3MBTL1

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