SCHEMBL11513290

SCHEMBL11513290

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.46
EPHX2 P34913 1/20 0.35
PRKCA P17252 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL11513293 1.00 PDE4D (0.46) PDE4DEPHX2PRKCAMEN1KMT2A
SCHEMBL11514083 0.83 PRKCA (0.43) PDE4DPRKCAUSP2LMNA
SCHEMBL14224913 0.80 PDE4D (0.61) PDE4DEPHX2PRKCAMEN1KMT2A
SCHEMBL14224961 0.80 PDE4D (0.61) PDE4DEPHX2PRKCAMEN1KMT2A
SCHEMBL11514906 0.78 PDE4D (0.48) PDE4DEPHX2PRKCA
SCHEMBL11514911 0.78 PDE4D (0.48) PDE4DEPHX2PRKCA
SCHEMBL11512202 0.78 LMNA (0.34) PDE4DEPHX2PRKCAUSP2LMNA
SCHEMBL11512198 0.78 LMNA (0.34) PDE4DEPHX2PRKCAUSP2LMNA
SCHEMBL11514096 0.78 LMNA (0.34) PDE4DEPHX2PRKCAUSP2LMNA
SCHEMBL11593516 0.73 PDE4D (0.37) PDE4DMEN1KMT2A

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