SCHEMBL15317548

SCHEMBL15317548

CCCCCc1cnc(C(F)(F)Oc2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)cc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP2C9 P11712 1/20 0.33
PDE2A O00408 2/20 0.32
FFAR1 O14842 1/20 0.32
SLC7A5 Q01650 2/20 0.31
HSD11B1 P28845 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
RARB P10826 1/20 0.30
S1PR1 P21453 1/20 0.30
CYP3A4 P08684 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
SCHEMBL7732585 0.88 HTR2A (0.37) FFAR1SLC7A5HSD11B1PPARGPPARA
SCHEMBL7730566 0.87 HTR2A (0.38) FFAR1SLC7A5HSD11B1PPARGPPARA
SCHEMBL15317549 0.86 MAPT (0.36) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL7735307 0.84 PSEN1 (0.36) CYP11B1CYP11B2FFAR1SLC7A5HSD11B1
SCHEMBL7732149 0.83 PSEN1 (0.37) CYP11B1CYP11B2FFAR1SLC7A5HSD11B1
SCHEMBL7735591 0.82 DAO (0.39) FFAR1HSD11B1PPARGPPARARARB
SCHEMBL15318765 0.82 CYP11B2 (0.39) CYP11B1CYP11B2PDE2ASLC7A5PPARA
SCHEMBL7735381 0.81 KIF11 (0.47) CYP11B1CYP11B2HSD11B1RARB
SCHEMBL7729985 0.80 KIF11 (0.38) SENP8SENP7SENP6CYP11B1CYP11B2
SCHEMBL7730438 0.79 DAO (0.40) CYP11B1CYP11B2FFAR1SLC7A5PPARG

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