SCHEMBL3260256

SCHEMBL3260256

O=C(O)/C(=C/c1ccc2[nH]c(Cc3ccc4ccccc4c3)cc2c1)OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR1 O14842 3/20 0.38
CTNNB1 P35222 1/20 0.35
TBXA2R P21731 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGFR P43088 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PTGDR Q13258 1/20 0.34
AKR1C3 P42330 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL3260257 1.00 F2 (0.39) F2NPC1GAAMAPTXBP1
SCHEMBL3262209 0.91 F2 (0.46) F2NPC1GAAMAPTXBP1
SCHEMBL3262208 0.91 F2 (0.46) F2NPC1GAAMAPTXBP1
SCHEMBL3261637 0.88 ALDH1A1 (0.38) F2NPC1GAAMAPTRAB9A
SCHEMBL3261635 0.88 ALDH1A1 (0.38) F2NPC1GAAMAPTRAB9A
SCHEMBL3261643 0.79 TBXAS1 (0.42) F2FFAR1TBXA2RPTGER4PTGFR
SCHEMBL3261286 0.79 F2 (0.46) F2NPC1GAAMAPTRAB9A
SCHEMBL3261283 0.79 F2 (0.46) F2NPC1GAAMAPTRAB9A
SCHEMBL3261904 0.77 PPARG (0.45) F2FFAR1CTNNB1PPARG
SCHEMBL3262489 0.75 RAB9A (0.48) F2RAB9AHDAC3HDAC4HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010011147-A1 INDOLE COMPOUNDS THIA MEDICA AS (NO) 2010-01-28 WO disclosed