SCHEMBL989014

SCHEMBL989014

CCC(CC)(CCCCCCCCCCCC(N)=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.42
FAAH O00519 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
SMPD1 P17405 2/20 0.34
FDPS P14324 1/20 0.34
CES2 O00748 4/20 0.33
CES1 P23141 4/20 0.33
SCN5A Q14524 3/20 0.33
SCN9A Q15858 3/20 0.33
ABHD16A O95870 1/20 0.33
CNR1 P21554 1/20 0.32

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
SCHEMBL4149223 1.00 SOAT1 (0.42) SOAT1FAAHMEN1TP53CYP1A2
SCHEMBL8496388 1.00 SOAT1 (0.42) SOAT1FAAHMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL2418570 0.98 SOAT1 (0.41) SOAT1FAAHMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL2413365 0.98 SOAT1 (0.41) SOAT1FAAHMEN1TP53CYP1A2
SCHEMBL7079388 0.98 CYP4F2 (0.40) SOAT1FAAHMEN1TP53CYP1A2
SCHEMBL4147412 0.91 CYP4F2 (0.37) SOAT1FAAHMEN1TP53CYP1A2
SCHEMBL8496383 0.86 MEN1 (0.41) SOAT1FAAHMEN1TP53CYP1A2
SCHEMBL3903689 0.86 SOAT1 (0.55) SOAT1FAAHMEN1TP53CYP1A2
SCHEMBL11782562 0.86 SOAT1 (0.55) SOAT1FAAHMEN1TP53CYP1A2
SCHEMBL7521923 0.86 SOAT1 (0.55) SOAT1FAAHMEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275100-A2 Compounds with anti-parasitic activity and drugs containing said compounds Centre National de la Recherche Scientifique (CNRS) (FR) 2011-01-19 EP disclosed
EP-2266555-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-29 EP disclosed
EP-2260840-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
EP-2260841-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
EP-1524972-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND MEDICINES CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-04-27 EP disclosed
WO-2004009068-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND MEDICINES CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-01-29 WO disclosed