SCHEMBL6280892

SCHEMBL6280892

CCCCC(O)NCCNC(O)CCCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
DNM1 Q05193 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
FDPS P14324 1/20 0.37
CA2 P00918 4/20 0.37
CA1 P00915 3/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
MAPT P10636 1/20 0.35
ADRB2 P07550 2/20 0.35

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
SCHEMBL4938091 0.92 DNM1 (0.42) ALDH1A1DNM1DPP7CYP3A4TSHR
SCHEMBL4938022 0.92 TSHR (0.38) ALDH1A1DNM1DPP7CYP3A4TSHR
SCHEMBL18964930 0.91 EPHX1 (0.42) ALDH1A1DNM1DPP7CYP3A4TSHR
SCHEMBL4935412 0.90 DPP7 (0.44) ALDH1A1DNM1DPP7TSHRSMN1; SMN2
SCHEMBL4965608 0.87 ALDH1A1 (0.46) ALDH1A1DPP7CYP3A4TSHRCA2
SCHEMBL9801802 0.87 ALDH1A1 (0.46) ALDH1A1DPP7CYP3A4TSHRCA2
SCHEMBL4933295 0.86
SCHEMBL22215000 0.86
SCHEMBL6703423 0.85 CNR1 (0.36) ALDH1A1DNM1DPP7CYP3A4TSHR
SCHEMBL9801733 0.85 SMN1; SMN2 (0.48) ALDH1A1DPP7TSHRACHESMN1; SMN2

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
EP-1603846-A2 STRENGTH IMPROVEMENT ADMIXTURE Construction Research & Technology GmbH (DE) 2005-12-14 EP claimed
WO-2004076376-A2 STRENGTH IMPROVEMENT ADMIXTURE CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2004-09-10 WO claimed