SCHEMBL13995206

SCHEMBL13995206

COC(C)C(=O)OCCCC(CCCCCCCCC(=O)O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 2/20 0.37
ADRA1A P35348 1/20 0.36
GSTK1 Q9Y2Q3 1/20 0.35
TSHR P16473 4/20 0.34
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARG P37231 5/20 0.33
PPARD Q03181 5/20 0.33
PPARA Q07869 5/20 0.33
HDAC11 Q96DB2 4/20 0.33
GPR84 Q9NQS5 3/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33

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
SCHEMBL13995204 1.00 ALDH1A1 (0.41) ALDH1A1FFAR4FFAR1ADRA1AGSTK1
SCHEMBL13995190 0.93 ALDH1A1 (0.39) ALDH1A1FFAR4FFAR1ADRA1AGSTK1
SCHEMBL13995201 0.91 FOLH1 (0.37) ALDH1A1
SCHEMBL12141520 0.87 ALDH1A1 (0.39) ALDH1A1FFAR4FFAR1ADRA1AGSTK1
SCHEMBL13995185 0.85 ALDH1A1 (0.36) ALDH1A1FFAR4FFAR1ADRA1AGSTK1
SCHEMBL13995191 0.84 KISS1R (0.32)
SCHEMBL12141561 0.82 MMP2 (0.33) GPR84
SCHEMBL13995188 0.82 FOLH1 (0.38)
SCHEMBL13995178 0.81 MAPT (0.43) ALDH1A1TSHRLMNA
SCHEMBL13995179 0.81 MAPT (0.43) ALDH1A1TSHRLMNA

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-7470768-B2 Polyhydroxyalkanoate having vinyl group, ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2008-12-30 US disclosed
US-20070073006-A1 Polyhydroxyalkanoate having vinyl group, ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2007-03-29 US disclosed