SCHEMBL9475754

SCHEMBL9475754

CCNC(=O)N(CC)CN(CC)C(=O)NCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP8 P22894 2/20 0.36
MMP9 P14780 1/20 0.36
HTT P42858 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP2E1 P05181 1/20 0.35
PTGS1 P23219 1/20 0.35
GSDMD P57764 1/20 0.35
HTR1A P08908 1/20 0.34
MCL1 Q07820 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH2 P05091 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL969221 0.90 ALDH1A1 (0.43) ALDH1A1GAAKMT2ALMNAMMP1
SCHEMBL3934067 0.90 ALDH1A1 (0.43) ALDH1A1GAAKMT2ALMNAMMP1
SCHEMBL968823 0.81 CA12 (0.43) ALDH1A1GAAKMT2ALMNAMMP1
SCHEMBL1416281 0.81 ALDH1A1 (0.38) ALDH1A1GAAKMT2ALMNAMMP1
SCHEMBL22006578 0.81 ALDH1A1 (0.35) ALDH1A1GAAKMT2ALMNAMMP1
SCHEMBL7765563 0.79 ALDH1A1 (0.42) ALDH1A1GAAKMT2ALMNAMMP1
SCHEMBL11832724 0.78 ALDH1A1 (0.36) ALDH1A1GAAKMT2ALMNAMMP1
SCHEMBL965270 0.78 CA12 (0.53) ALDH1A1GAALMNAMMP1MMP2
SCHEMBL965052 0.78 CA12 (0.43) ALDH1A1GAAKMT2ALMNAMMP1
SCHEMBL11290100 0.77 ALDH1A1 (0.42) ALDH1A1GAAKMT2AMMP1MMP2

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-5220061-A Slowyly mixing n,n dialkyl-n-phenylurea and methylene bis/ alkyl carbamate/ with acid catalyst; heating ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1993-06-15 US disclosed
US-5206412-A Reacting alkylphenylcarbamate with methylene bis(alkyl carbamate); acid catlayst ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1993-04-27 US disclosed