SCHEMBL8746439

SCHEMBL8746439

CCCCCCCCCOc1ccc(B(O)O)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NR5A1 Q13285 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CHUK O15111 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL29950981 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL4827415 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL29416793 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL8218479 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL7788798 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL8746471 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL2510510 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL29546276 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL8746461 0.98 L3MBTL1 (0.40) S1PR3THRATHRBNR5A1MEN1
SCHEMBL29545875 0.98 L3MBTL1 (0.40) S1PR3THRATHRBNR5A1MEN1

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-5683623-A FERROELECTRIC LIQUID CRYSTALS CELLS AND DEVICES FOR ELECTROOPTICAL APPARATUS CENTRAL RESEARCH LABORATORIES LIMITED (GB) 1997-11-04 US disclosed
EP-0662114-B1 DIOXANE DERIVATIVES CENTRAL RESEARCH LAB LTD (GB) 1997-02-19 EP disclosed
EP-0662114-A1 DIOXANE DERIVATIVES. CENTRAL RESEARCH LAB LTD (GB) 1995-07-12 EP disclosed
WO-1994006885-A1 DIOXANE DERIVATIVES CENTRAL RESEARCH LABORATORIES LIMITED (GB) 1994-03-31 WO disclosed