SCHEMBL10685449

SCHEMBL10685449

CCCCC(N)=CC(=O)OC(C)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
DDAH1 O94760 1/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SOAT1 P35610 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 2/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
EPHX1 P07099 1/20 0.30
CNR1 P21554 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL10685435 1.00 LMNA (0.35) LMNACES2CES1DDAH1TP53
SCHEMBL10679390 0.90 LMNA (0.30) LMNA
SCHEMBL10679402 0.90 LMNA (0.30) LMNA
SCHEMBL10684914 0.85 LMNA (0.46) LMNACES2CES1DDAH1TP53
SCHEMBL10684921 0.85 LMNA (0.46) LMNACES2CES1DDAH1TP53
SCHEMBL10684667 0.83
SCHEMBL10684677 0.83
SCHEMBL10686341 0.79 CES1 (0.39) CES2CES1TP53MEN1FAAH
SCHEMBL10686333 0.79 CES1 (0.39) CES2CES1TP53MEN1FAAH
SCHEMBL11107013 0.75 ALOX15 (0.32) LMNA

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
US-4761420-A CARDIOVASCULAR DISORDERS LABORATOIRES SYNTEX S.A. (FR) 1988-08-02 US disclosed
EP-0249245-A2 Antihypertensive dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1987-12-16 EP disclosed