SCHEMBL15317558

SCHEMBL15317558

CCCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3ccc(OC(F)(F)F)cc3)c(F)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.38
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 3/20 0.37
ALOX5 P09917 1/20 0.37
PPARG P37231 1/20 0.37
CYP2C19 P33261 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
GRM2 Q14416 1/20 0.35
MOGAT2 Q3SYC2 1/20 0.34
APLNR P35414 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
NFKB1 P19838 3/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL15317559 0.81 RAB9A (0.40) CYP2C9L3MBTL1RAB9AMAPTCASP3
SCHEMBL14226686 0.78 RAB9A (0.42) L3MBTL1RAB9AMAPTCASP3SENP8
SCHEMBL14226683 0.78 RAB9A (0.37) CYP3A4CYP2C9L3MBTL1RAB9AMAPT
SCHEMBL15317528 0.77 NPC1 (0.35) CYP3A4CYP2C9RAB9APKMNPC1
SCHEMBL14226684 0.77 MAPT (0.38) CYP3A4CYP2C9CYP2C19L3MBTL1RAB9A
SCHEMBL12357360 0.77 ALOX5AP (0.44) PCSK9CYP3A4L3MBTL1RAB9AMAPT
SCHEMBL12254124 0.76 RAB9A (0.53) L3MBTL1RAB9AMAPTCASP3SENP8
SCHEMBL7731549 0.76 PCSK9 (0.34) PCSK9ALOX5PPARGAPLNR
SCHEMBL15317549 0.76 MAPT (0.36) CYP3A4CYP2C9PPARGL3MBTL1RAB9A
SCHEMBL7732511 0.76 PPARG (0.35) PCSK9ALOX5PPARGL3MBTL1MAPT

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 4 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-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
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