SCHEMBL13755359

SCHEMBL13755359

CCOC(=O)CCCc1cc(F)c(F)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TNF P01375 3/20 0.41
ALOX5 P09917 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
GSTP1 P09211 1/20 0.38
LMNA P02545 1/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL17345637 0.86 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL4508144 0.78 CYP4F2 (0.49) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL15287206 0.78 CYP4F2 (0.43) CYP4F2CYP4A11LMNACA1CA2
SCHEMBL19900035 0.77 CYP4Z1 (0.48) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL2135765 0.77 HTR2A (0.45) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL14542484 0.77 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL9671446 0.76 CYP4F2 (0.47) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL9157019 0.76 CYP4F2 (0.64) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL1511092 0.76 CYP4F2 (0.64) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL7857892 0.75 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19

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