SCHEMBL15317541

SCHEMBL15317541

CCCCCc1cc(F)c(C(F)(F)Oc2cnc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)nc2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.32
PTGS2 P35354 2/20 0.31
DAO P14920 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL15317532 0.89 PTGS2 (0.37) FUT7PTGS2DAOCA1CA2
SCHEMBL7734949 0.89 PTGS2 (0.37) FUT7PTGS2DAOCA1CA2
SCHEMBL15317547 0.87 PPARG (0.34) FUT7CYP3A4MAPTRAB9AL3MBTL1
SCHEMBL15317550 0.86 MAPT (0.33) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL7730038 0.85 DAO (0.37) FUT7PTGS2DAOCA1CA2
SCHEMBL15317553 0.82 RARB (0.34) FUT7PTGS2CNR1CNR2MAPT
SCHEMBL7734985 0.81 PTGS2 (0.37) FUT7PTGS2CA1CA2CA9
SCHEMBL14226643 0.81 RARB (0.35) FUT7PTGS2DAOCA1CA2
SCHEMBL7730819 0.81 THRB (0.33) PTGS2DAOCA1CA2CA9
SCHEMBL20115925 0.81 DAO (0.39) DAO

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-9133397-B2 Tricyclic compound having a plurality of CF2O bonding groups, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2015-09-15 US disclosed
US-20130271719-A1 TRICYCLIC COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-10-17 US disclosed