SCHEMBL11548207

SCHEMBL11548207

CCCOCC(CCCO)OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.44
ADRA1D P25100 1/20 0.40
PTAFR P25105 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
PLA2G2C Q5R387 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GLS2 Q9UI32 2/20 0.36

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
SCHEMBL1982633 0.88 PRKCA (0.45) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL10698426 0.87 PRKCA (0.49) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL11547563 0.87 PRKCA (0.41) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL3841407 0.84 PRKCA (0.39) PRKCACYP1A2GLS2
Ether SCHEMBL9615792 0.84 PRKCA (0.42) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL11654945 0.82 PRKCA (0.49) PRKCAALDH1A1HSD17B10GLS2
SCHEMBL4328590 0.82 PRKCA (0.57) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL11654951 0.82 PRKCA (0.49) PRKCAALDH1A1HSD17B10GLS2
SCHEMBL11546492 0.82 PLA2G2C (0.45) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL1665609 0.79 PRKCA (0.53) PRKCAADRA1DPTAFRHTR1DHTR2C

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-4175203-A TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS MERCK & CO., INC. (US) 1979-11-20 US disclosed
US-4150235-A ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4140861-A RENAL DISFUNCTION, ANTIBODY INHIBITORS MERCK & CO., INC. (US) 1979-02-20 US disclosed