SCHEMBL15317528

SCHEMBL15317528

CCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)nc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 1/20 0.31
FFAR1 O14842 1/20 0.31
MAOB P27338 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
SCHEMBL15317517 0.87 FFAR1 (0.33) FFAR1MAOB
SCHEMBL7731510 0.87 DAO (0.34) FFAR1MAOB
SCHEMBL7733451 0.83 FFAR1 (0.31) FFAR1MAOB
SCHEMBL12254171 0.82 NPC1 (0.38) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL7729833 0.81 DAO (0.34) RAB9AFFAR1MAOB
SCHEMBL12254126 0.80 SMN1; SMN2 (0.53) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL14226653 0.80 KIF11 (0.33) MAOB
SCHEMBL7722692 0.80 SKP2 (0.35)
SCHEMBL14226855 0.80 S1PR1 (0.32) FFAR1
SCHEMBL15317537 0.79 MAOB (0.31) MAOB

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