SCHEMBL28005170

SCHEMBL28005170

CCCCCCOC(C)Br

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.50
THRB P10828 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
LPAR1 Q92633 5/20 0.38
LPAR3 Q9UBY5 5/20 0.38
LPAR2 Q9HBW0 1/20 0.38
USP2 O75604 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37

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
SCHEMBL9634343 1.00 DNM1 (0.50) DNM1THRBTSHRMEN1HTT
SCHEMBL1096555 1.00 DNM1 (0.50) DNM1THRBTSHRMEN1HTT
SCHEMBL27705788 0.90
SCHEMBL11796373 0.87 DNM1 (0.32) DNM1
SCHEMBL8469032 0.82 DNM1 (0.52) DNM1THRBTSHRMEN1HTT
SCHEMBL8896345 0.80 DNM1 (0.50) DNM1LPAR1LPAR3LPAR2
SCHEMBL1402431 0.80 DNM1 (0.50) DNM1LPAR1LPAR3LPAR2
SCHEMBL4394151 0.80 DNM1 (0.50) DNM1LPAR1LPAR3LPAR2
SCHEMBL4398071 0.80 DNM1 (0.50) DNM1LPAR1LPAR3LPAR2
SCHEMBL4401469 0.80 DNM1 (0.50) DNM1LPAR1LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104487496-A Materials coated with calixarenes UNIV LIBRE DE BRUXELLES ULB 2015-04-01 CN disclosed