SCHEMBL28225640

SCHEMBL28225640

CCCCCCCCCCCCCC(=O)OC(CO)COCC(O)CO

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.71
MAPK1 P28482 1/20 0.71
PRKCA P17252 5/20 0.70
PRKCE Q02156 2/20 0.70
PRKCQ Q04759 2/20 0.70
PRKCD Q05655 2/20 0.70
LMNA P02545 3/20 0.65
KDM4E B2RXH2 1/20 0.65
DUSP3 P51452 1/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 1/20 0.58
DGKA P23743 1/20 0.56
USP2 O75604 1/20 0.54
S1PR1 P21453 1/20 0.52

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
SCHEMBL3453977 1.00 MAPT (0.71) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL20202521 0.95 MAPT (0.68) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL29411373 0.91 MAPT (0.80) MAPTMAPK1PRKCAPRKCEPRKCQ
Alcohol SCHEMBL7806293 0.90 MAPT (0.60) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL17079319 0.90 LMNA (0.75) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL20202525 0.90 MAPT (0.60) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL6114438 0.90 LMNA (0.75) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL8160400 0.89 PRKCA (0.54) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL27636243 0.89 MAPT (0.59) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL14305782 0.89 LMNA (0.73) PRKCAPRKCEPRKCQPRKCDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947843-A Prostacyclin compound, its composition and application method 英斯梅德股份有限公司 2018-12-07 CN disclosed
CN-105848479-B Prostacyclin compounds, compositions and methods of use thereof 英斯梅德股份有限公司 2018-07-13 CN disclosed