SCHEMBL11514906

SCHEMBL11514906

CCCCCC(/C=C/CC(CCCCCCC(=O)OC)S(C)(=O)=O)OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.48
PRKCA P17252 3/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 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
SCHEMBL11514911 1.00 PDE4D (0.48) PDE4DPRKCACA12CA2CA7
SCHEMBL14224913 0.83 PDE4D (0.61) PDE4DPRKCAEPHX2
SCHEMBL14224961 0.83 PDE4D (0.61) PDE4DPRKCAEPHX2
SCHEMBL11512549 0.79 PRKCA (0.47) PRKCACA12CA2CA7CA9
SCHEMBL11513293 0.78 PDE4D (0.46) PDE4DPRKCAEPHX2
SCHEMBL11513290 0.78 PDE4D (0.46) PDE4DPRKCAEPHX2
SCHEMBL13764839 0.75 PDE4D (0.51) PDE4DPRKCAPPARG
SCHEMBL11513721 0.75 PRKCA (0.38) PDE4DPRKCACA12CA2CA7
SCHEMBL11515100 0.75 PRKCA (0.38) PDE4DPRKCACA12CA2CA7
SCHEMBL11513718 0.75 PRKCA (0.38) PDE4DPRKCACA12CA2CA7

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
US-4155908-A PSORIASIS, ANTICOAGULANTS MERCK & CO., INC. (US) 1979-05-22 US disclosed
US-4128564-A 9-Thia- and oxothia- and 9-dioxothia-11,12-seco-prostaglandins MERCK & CO., INC. (US) 1978-12-05 US disclosed
US-4085125-A 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes MERCK & CO., INC. (US) 1978-04-18 US disclosed
US-4066675-A PSORIASIS, THROMBOSIS MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4018802-A SKIN DISEASES, GROWTH HORMONE STIMULANTS, THROMBUS PREVENTION, IMMUNOLOGY MERCK & CO., INC. (US) 1977-04-19 US disclosed