SCHEMBL7789302

SCHEMBL7789302

CCCCCCCCCCOc1ccc(B2OCCCO2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.38
S1PR1 P21453 2/20 0.38
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 3/20 0.34
THRA P10827 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTA4H P09960 1/20 0.34
MAPT P10636 2/20 0.33
CHUK O15111 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKCG P05129 1/20 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
SCHEMBL14510509 0.81 RAB9A (0.36) RAB9AMEN1KMT2AHPGDNPC1
SCHEMBL22748469 0.80 LPL (0.43) S1PR5S1PR1MEN1KMT2AHPGD
SCHEMBL13429489 0.79 SMN1; SMN2 (0.39) RAB9AMEN1KMT2AHPGDNPC1
SCHEMBL21655144 0.78 LPL (0.42) S1PR5S1PR1RAB9AMEN1KMT2A
SCHEMBL19160557 0.77 NR5A1 (0.50) MEN1KMT2AHPGDTP53TSHR
SCHEMBL19160763 0.77 NR5A1 (0.50) MEN1KMT2AHPGDTP53TSHR
SCHEMBL19160350 0.77 NR5A1 (0.50) MEN1KMT2AHPGDTP53TSHR
SCHEMBL19160349 0.76 L3MBTL1 (0.46) MEN1KMT2AHPGDTP53THRB
SCHEMBL19160817 0.76 L3MBTL1 (0.46) MEN1KMT2AHPGDTP53THRB
SCHEMBL19160420 0.76 L3MBTL1 (0.55) S1PR1MEN1KMT2AHPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed