SCHEMBL8663002

SCHEMBL8663002

CCCCCC1(CC(=O)O)CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
AKR1B1 P15121 1/20 0.33
PTPN1 P18031 3/20 0.33
ACP1 P24666 1/20 0.33
CDC25B P30305 1/20 0.33
SCD O00767 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
HDAC11 Q96DB2 5/20 0.32
TSHR P16473 4/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 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
SCHEMBL15295443 0.88 SIRT2 (0.41) SIRT2
SCHEMBL8622095 0.85 SIRT2 (0.45) SIRT2PTPN1ACP1CDC25B
SCHEMBL2765891 0.84 DGAT1 (0.37) TSHRALDH1A1
SCHEMBL4608849 0.84 SIRT2 (0.39) SIRT2
SCHEMBL5186468 0.84 SIRT2 (0.39) SIRT2
SCHEMBL8621156 0.83 SIRT2 (0.47) SIRT2PTPN1ACP1CDC25B
SCHEMBL6079946 0.82 DGAT1 (0.36) TSHRALDH1A1
SCHEMBL11218707 0.81 SIRT2 (0.54) SIRT2PTPN1ACP1CDC25B
SCHEMBL6908218 0.81 SIRT2 (0.54) SIRT2PTPN1ACP1CDC25B
SCHEMBL8622131 0.80 SIRT2 (0.41) SIRT2PTPN1ACP1CDC25BTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878497-A2 Fragrance precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-11-18 EP claimed