SCHEMBL8087798

SCHEMBL8087798

CCCCCCCCCC(C)(O)CC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.56
CHRM1 P11229 1/20 0.56
TBXA2R P21731 1/20 0.56
ADRA1A P35348 1/20 0.56
TDP1 Q9NUW8 3/20 0.54
FFAR1 O14842 2/20 0.54
CPT2 P23786 1/20 0.54
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL15823828 1.00 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1ATDP1
SCHEMBL7075848 1.00 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1ATDP1
SCHEMBL7080210 1.00 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1ATDP1
SCHEMBL7076271 1.00 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1ATDP1
SCHEMBL7080082 1.00 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1ATDP1
SCHEMBL7076216 1.00 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1ATDP1
SCHEMBL5907617 1.00 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1ATDP1
SCHEMBL4228177 1.00 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1ATDP1
SCHEMBL380756 0.98 HMGCR (0.58) HMGCRCHRM1TBXA2RADRA1ATDP1
SCHEMBL380849 0.91 HMGCR (0.61) HMGCRCHRM1TBXA2RADRA1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000512663-A 2000-09-26 JP claimed
EP-1003469-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-05-31 EP claimed
WO-1997030687-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-08-28 WO claimed
EP-1003469-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-05-31 EP disclosed
WO-1997030687-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-08-28 WO disclosed