SCHEMBL9520211

SCHEMBL9520211

CCC(=O)c1ccc(CCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.54
THRA P10827 3/20 0.54
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 3/20 0.43
PLK1 P53350 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CTDSP1 Q9GZU7 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
SCHEMBL27600864 0.89 THRA (0.60) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL20278348 0.87 MAPT (0.57) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL10021819 0.83 L3MBTL1 (0.67) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL5987625 0.83 CA1 (0.57) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL28199310 0.80 MAPT (0.50) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL10031544 0.80 THRA (0.64) THRBTHRAMAPTKMT2AMEN1
SCHEMBL10452837 0.80 TAAR1 (0.54) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL10898528 0.80 THRB (0.56) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL4046307 0.80 GSK3B (0.59) THRBTHRAMAPTL3MBTL1RAB9A
SCHEMBL8051337 0.80 SMN1; SMN2 (0.70) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232175-A A kind of preparation method of chloroethyl substituted aromatic compound 四川理工学院 2019-01-18 CN disclosed
CN-104402893-A Organic compounds INTRA CELLULAR THERAPIES INC 2015-03-11 CN disclosed
CN-104370918-A ORGANIC COMPOUNDS TAKEDA PHARMACEUTICAL 2015-02-25 CN disclosed
CN-104370921-A Organic compounds TAKEDA PHARMACEUTICAL 2015-02-25 CN disclosed
CN-104370922-A Organic compounds TAKEDA PHARMACEUTICAL 2015-02-25 CN disclosed
CN-104370920-A Organic compounds TAKEDA PHARMACEUTICAL 2015-02-25 CN disclosed
CN-104370919-A Organic compounds TAKEDA PHARMACEUTICAL 2015-02-25 CN disclosed
CN-101970444-A Organic compounds INTRA CELLULAR THERAPIES INC 2011-02-09 CN disclosed
EP-0279598-B1 ARYLPIPERAZINYL-ALKYLENE-PHENYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1993-09-15 EP disclosed
US-4891375-A Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1990-01-02 US disclosed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 EP disclosed