SCHEMBL13755360

SCHEMBL13755360

CCOC(=O)CCC(O)c1cc(F)c(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.36
APP P05067 1/20 0.36
CYP1A2 P05177 2/20 0.36
TNF P01375 3/20 0.35
STING1 Q86WV6 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 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
SCHEMBL13451133 0.81 PDE2A (0.40) L3MBTL1KMT2APOLBLMNAAPP
SCHEMBL13755397 0.76 MEN1 (0.39) L3MBTL1KMT2APOLBLMNACYP4F2
SCHEMBL6745174 0.73 PDE2A (0.46) L3MBTL1LMNAKDM4ECYP3A4HSD17B10
SCHEMBL13755382 0.73 STING1 (0.38) L3MBTL1KMT2ALMNAAPPCYP1A2
SCHEMBL13755362 0.72 STING1 (0.45) KMT2ALMNACYP1A2TNFSTING1
SCHEMBL28788158 0.72 MAPT (0.52) L3MBTL1KMT2APOLBLMNAKDM4E
SCHEMBL13755359 0.71 CYP4F2 (0.47) LMNACYP1A2TNFCYP4F2CYP4A11
SCHEMBL16796703 0.71 NLRP3 (0.46) L3MBTL1KMT2APOLBAPPCYP1A2
SCHEMBL16796779 0.71 CYP4F2 (0.45) LMNACYP4F2CYP4A11
SCHEMBL28080073 0.70 L3MBTL1 (0.45) L3MBTL1KMT2APOLBAPPCYP1A2

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-7575785-B2 use thereof in liquid-crystalline media, and and to electro-optical display elements containing these liquid-crystalline media; negative dielectric anisotropy MERCK PATENT GMBH (DE) 2009-08-18 US disclosed
US-7575785-B2 use thereof in liquid-crystalline media, and and to electro-optical display elements containing these liquid-crystalline media; negative dielectric anisotropy MERCK PATENT GMBH (DE) 2009-08-18 US disclosed