SCHEMBL9048693

SCHEMBL9048693

COC(=O)c1cc2cc(Oc3ccc(F)cc3)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
POLB P06746 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
FLT3 P36888 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TAS1R3 Q7RTX0 7/20 0.47
TAS1R1 Q7RTX1 7/20 0.47
MAPT P10636 3/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAOB P27338 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL29404836 0.86 CHRNA7 (0.47) PIM1FLT3NPC1RAB9ATAS1R3
SCHEMBL22276177 0.86 CHRNA7 (0.47) PIM1FLT3NPC1RAB9ATAS1R3
SCHEMBL9049475 0.85 PIM1 (0.63) PIM1POLBTHRATHRBFLT3
SCHEMBL446971 0.83 TAS1R3 (0.64) FLT3TAS1R3TAS1R1MAPTCASP3
SCHEMBL31287924 0.83 LGALS8 (0.57) PIM1THRATHRBFLT3TAS1R3
SCHEMBL8696625 0.79 FLT3 (0.76) PIM1POLBFLT3TAS1R3TAS1R1
SCHEMBL20559147 0.77 MAOA (0.46) FLT3NPC1RAB9AMAPTCASP3
SCHEMBL2810641 0.76 PIM1 (0.56) PIM1FLT3TAS1R3TAS1R1MAPT
SCHEMBL9989067 0.76 MAOB (0.55) FLT3TAS1R3TAS1R1MAPTKDM4E
SCHEMBL2312019 0.76 KDM4E (0.50) NPC1RAB9AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP disclosed
US-5559144-A LIPOXYGENASE INHIBITORS, INHIBITORS OF BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed
EP-0540673-A4 1994-04-27 EP disclosed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP disclosed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO disclosed