SCHEMBL8469032

SCHEMBL8469032

CCCCCCOC(Br)Br

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.52
THRB P10828 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
LPAR1 Q92633 6/20 0.39
LPAR3 Q9UBY5 6/20 0.39
LPAR2 Q9HBW0 2/20 0.39
USP2 O75604 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8469784 0.97
SCHEMBL5707565 0.89
SCHEMBL28005170 0.82 DNM1 (0.50) DNM1THRBTSHRMEN1HTT
SCHEMBL9634343 0.82 DNM1 (0.50) DNM1THRBTSHRMEN1HTT
SCHEMBL1096555 0.82 DNM1 (0.50) DNM1THRBTSHRMEN1HTT
SCHEMBL28419293 0.80 DNM1 (0.48) DNM1THRBTSHRMEN1HTT
SCHEMBL5596778 0.80 DNM1 (0.48) DNM1THRBTSHRMEN1HTT
SCHEMBL155615 0.80 DNM1 (0.48) DNM1THRBTSHRMEN1HTT
SCHEMBL1805659 0.80 DNM1 (0.48) DNM1THRBTSHRMEN1HTT
SCHEMBL28014871 0.78 DNM1 (0.47) DNM1THRBTSHRMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886211-A Process for producing 2-(halomethyl)phenylacetic acid esters SAGAMI CHEMICAL RESEARCH CENTER (JP) 1999-03-23 US disclosed
EP-0834497-A1 PROCESS FOR PRODUCING 2-(HALOMETHYL)PHENYLACETIC ACID ESTERS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-08 EP disclosed