SCHEMBL11545864

SCHEMBL11545864

CCCOCC(O)CCCC(CCCc1ccc(C(=O)O)cc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
RARA P10276 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G4B P0C869 1/20 0.42
PTGER4 P35408 4/20 0.40
PTGER2 P43116 4/20 0.40
PTGER3 P43115 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
FOLH1 Q04609 1/20 0.37

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
SCHEMBL11549509 0.85 RARB (0.56) RARBMAPTALDH1A1MEN1RARA
SCHEMBL11549274 0.85 RARB (0.56) RARBMAPTALDH1A1MEN1RARA
SCHEMBL11546230 0.85 RARB (0.56) RARBMAPTALDH1A1MEN1RARA
SCHEMBL11547639 0.84 RARB (0.57) RARBMAPTALDH1A1MEN1RARA
SCHEMBL11545878 0.82 GRIN2D (0.54) RARBMAPTALDH1A1MEN1RARA
SCHEMBL11547848 0.81 RARB (0.43) RARBMAPTALDH1A1MEN1RARA
SCHEMBL11547836 0.78 ALDH1A1 (0.42) RARBMAPTALDH1A1MEN1RARA
SCHEMBL11548118 0.77 RARB (0.51) RARBMAPTALDH1A1MEN1RARA
SCHEMBL11546413 0.77 PTGER4 (0.42) RARBMAPTALDH1A1MEN1RARA
SCHEMBL11548760 0.77 RARB (0.49) RARBMAPTALDH1A1MEN1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4150235-A ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR MERCK & CO., INC. (US) 1979-04-17 US claimed
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