SCHEMBL9856688

SCHEMBL9856688

CCCCCCCCCCOC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
ESR1 P03372 4/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
NAAA Q02083 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCAR2 Q8TDS4 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
SCHEMBL7946728 1.00 ALDH1A1 (0.49) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL7995519 1.00 ALDH1A1 (0.49) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL8470318 1.00 ALDH1A1 (0.49) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL7899783 0.94 ALDH1A1 (0.44) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL11871467 0.93 ESR1 (0.50) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL10895696 0.93 ALDH1A1 (0.54) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL7926397 0.93 ALDH1A1 (0.54) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL7998788 0.93 ALDH1A1 (0.54) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL7924047 0.93 ALDH1A1 (0.54) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL7924052 0.93 ALDH1A1 (0.54) ALDH1A1TSHRLMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314717-B1 PROCESS FOR PREPARING ALKYL TETRABROMOPHTHALATES GREAT LAKES CHEMICAL CORPORATION (US) 1991-10-23 EP disclosed
EP-0314717-A4 PROCESS FOR PREPARING ALKYL TETRABROMOPHTHALATES. GREAT LAKES CHEMICAL CORP (US) 1989-06-14 EP disclosed
EP-0314717-A1 PROCESS FOR PREPARING ALKYL TETRABROMOPHTHALATES. GREAT LAKES CHEMICAL CORP (US) 1989-05-10 EP disclosed
WO-1988008837-A1 PROCESS FOR PREPARING ALKYL TETRABROMOPHTHALATES GREAT LAKES CHEMICAL CORPORATION (US) 1988-11-17 WO disclosed
US-4754053-A PURIFICATION WITH SODIUM CARBONATE DECAHYDRATE; ISOLATION OF ESTER; ALCOHOLYSIS WITH TITANIUM ALKOXIDE CATALYST OF ACID ANHYDRIDE GREAT LAKES CHEMICAL CORPORATION (US) 1988-06-28 US disclosed