SCHEMBL6284265

SCHEMBL6284265

CNCCCOCCCNC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL8958415 0.89 TSHR (0.41) TSHRHSD17B10MAPTRECQLCA2
SCHEMBL12461744 0.87 CA2 (0.42) TSHRHSD17B10MAPTRECQLCA2
SCHEMBL8958400 0.87 CA2 (0.42) TSHRHSD17B10MAPTRECQLCA2
SCHEMBL6284235 0.85 KDM4E (0.44) CA2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6285701 0.85
SCHEMBL15019063 0.84 EPHX2 (0.43) TSHRHSD17B10MAPTRECQLALDH1A1
Ethylene Glycol SCHEMBL8958389 0.83 GAA (0.40) TSHRHSD17B10MAPTRECQLCA2
SCHEMBL6285649 0.83 CA2 (0.44) CA2ALDH1A1SMN1; SMN2KDM4EEPHX2
SCHEMBL6284516 0.83 KDM4E (0.48) ALDH1A1SMN1; SMN2KDM4E
Urea SCHEMBL28214731 0.83 KDM4E (0.37) KDM4E

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