SCHEMBL7043280

SCHEMBL7043280

CCCOc1ccc(OC(=O)CCC)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
AKR1C3 P42330 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
PDE4D Q08499 1/20 0.38
CA9 Q16790 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TOP2A P11388 1/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1994064 0.83 ALOX15 (0.49) ALOX15BCL9CTNNB1KDM4EKMT2A
SCHEMBL19450271 0.80 MAPT (0.48) SMN1; SMN2MAPTHSD17B10KDM4EKMT2A
SCHEMBL18079242 0.78 MAPT (0.47) SMN1; SMN2MAPTHSD17B10KDM4EKMT2A
SCHEMBL10380383 0.77 CNR2 (0.56) ALOX15AKR1C3CNR1CNR2KDM4E
SCHEMBL2939435 0.77 ALOX15 (0.47) ALOX15HSD17B10BCL9CTNNB1KDM4E
SCHEMBL10379936 0.77 CNR2 (0.52) AKR1C3MAPTCNR1CNR2KDM4E
SCHEMBL9562378 0.77 KMT2A (0.48) ALOX15MAPTKMT2AMEN1L3MBTL1
SCHEMBL7404207 0.76 KMT2A (0.43) ALOX15SMN1; SMN2BCL9CTNNB1KDM4E
SCHEMBL7317976 0.76 MAPT (0.49) ALOX15AKR1C3MAPTHSD17B10BCL9
SCHEMBL2341739 0.76 BCL9 (0.51) ALOX15SMN1; SMN2MAPTBCL9CTNNB1

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
EP-0967261-B1 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition CHISSO CORP (JP) 2003-04-02 EP disclosed
EP-0967261-A1 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition Chisso Corporation (JP) 1999-12-29 EP disclosed