SCHEMBL6162951

SCHEMBL6162951

C[Si](C)(C)CCOC(=O)CCCCCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
ALDH1A1 P00352 3/20 0.47
PAM P19021 2/20 0.46
TSHR P16473 6/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
DNM1 Q05193 1/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6159417 1.00 DGKA (0.50) DGKAALDH1A1PAMTSHRLMNA
SCHEMBL6163153 1.00 DGKA (0.50) DGKAALDH1A1PAMTSHRLMNA
SCHEMBL5971956 1.00 DGKA (0.50) DGKAALDH1A1PAMTSHRLMNA
SCHEMBL2724170 0.98 DGKA (0.47) DGKAALDH1A1PAMTSHRLMNA
SCHEMBL28736793 0.94 TSHR (0.50) DGKAALDH1A1PAMTSHRLMNA
SCHEMBL2587969 0.86 ADRA2A (0.43) DGKAALDH1A1PAMTSHRLMNA
SCHEMBL5845272 0.85 DGKA (0.50) DGKAALDH1A1PAMTSHRLMNA
SCHEMBL28634633 0.85 DGKA (0.71) DGKAALDH1A1PAMTSHRLMNA
SCHEMBL31357156 0.84 DGKA (0.48) DGKAALDH1A1PAMLMNANFKB1
SCHEMBL14818311 0.83 DGKA (0.47) DGKAALDH1A1PAMTSHRDNM1

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-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed