Gemcadiol

Gemcadiol

SCHEMBL5097247

C=O.CC(C)(CO)CCCCCCC(C)(C)CO

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
CPT2 P23786 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ACLY P53396 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
GGPS1 O95749 1/20 0.30

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
SCHEMBL11088264 0.91 FFAR1 (0.48) FFAR1CPT2TDP1CYP4F2CYP4A11
Gemcadiol SCHEMBL636304 0.91 FFAR1 (0.48) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL11082433 0.91 FFAR1 (0.48) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL6268365 0.91 FFAR1 (0.48) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL6267734 0.91 FFAR1 (0.48) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL11088869 0.91 FFAR1 (0.48) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL6270199 0.88 FFAR1 (0.43) FFAR1CPT2TDP1
SCHEMBL28002575 0.83 TDP1 (0.42) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL156985 0.83 TDP1 (0.42) FFAR1CPT2TDP1CYP4F2CYP4A11
1,6-Hexanediol SCHEMBL8723953 0.83 TDP1 (0.42) FFAR1CPT2TDP1CYP4F2CYP4A11

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
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed