SCHEMBL5886067

SCHEMBL5886067

COc1ccc(OCCC(C)CCCC(C)C)cc1C(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
GSTO1 P78417 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
FDPS P14324 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 2/20 0.38
ADRA2A P08913 2/20 0.37
ADRA1A P35348 2/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL7114046 0.91 RARB (0.41) ALOX5GSTO1TDP1FDPSMEN1
SCHEMBL7201077 0.90 MEN1 (0.40) ALOX5GSTO1TDP1FDPSMEN1
SCHEMBL7114196 0.88 MEN1 (0.41) ALOX5GSTO1TDP1FDPSMEN1
SCHEMBL6859293 0.81 RARB (0.43) ALOX5GSTO1TDP1FDPSMEN1
SCHEMBL3124248 0.80 PDPK1 (0.34) ALOX5TDP1FDPSCYP1A2CYP2D6
SCHEMBL19549614 0.79 FDPS (0.41) ALOX5GSTO1TDP1FDPSMEN1
SCHEMBL1304615 0.79 ALOX5 (0.39) ALOX5GSTO1TDP1FDPSCYP1A2
SCHEMBL6858918 0.78 L3MBTL1 (0.40) ALOX5TDP1FDPSMEN1KMT2A
SCHEMBL7109586 0.78 RARB (0.42) ALOX5GSTO1TDP1FDPSKMT2A
SCHEMBL4966397 0.77 TDP1 (0.51) ALOX5TDP1FDPSL3MBTL1GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087787-B1 Method for producing derivatives of 4-alkylsulfinyl methylarylene methanols COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-08-08 US disclosed
US-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US disclosed
EP-1114025-A1 METHOD FOR PRODUCING DERIVATIVES OF 4-ALKYLSULFINYL METHYLARYLENE METHANOLS Celanese Ventures GmbH (DE) 2001-07-11 EP disclosed
WO-2000014059-A1 METHOD FOR PRODUCING DERIVATIVES OF 4-ALKYLSULFINYL METHYLARYLENE METHANOLS CELANESE VENTURES GMBH (DE) 2000-03-16 WO disclosed