SCHEMBL6680888

SCHEMBL6680888

CCCCCCc1ccc2ccccc2c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
NCEH1 Q6PIU2 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 5/20 0.42
HTT P42858 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 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
SCHEMBL6679055 1.00 LIPG (0.45) LIPGNCEH1MAPTKDM4EALDH1A1
SCHEMBL6684951 1.00 LIPG (0.45) LIPGNCEH1MAPTKDM4EALDH1A1
SCHEMBL6686050 0.98 NCEH1 (0.45) LIPGNCEH1MAPTKDM4EALDH1A1
SCHEMBL6680282 0.93 NCEH1 (0.46) NCEH1MAPTKDM4EALDH1A1GAA
SCHEMBL6680376 0.86 POLB (0.47) NCEH1MAPTKDM4EALDH1A1GAA
SCHEMBL3674710 0.83 LIPG (0.47) LIPGMAPTKDM4EALDH1A1GAA
SCHEMBL28208703 0.82 TYR (0.47) LIPGMAPTKDM4EALDH1A1HTT
SCHEMBL284188 0.81 TYR (0.47) LIPGNCEH1MAPTKDM4EALDH1A1
SCHEMBL236078 0.81 TYR (0.47) LIPGNCEH1MAPTKDM4EALDH1A1
SCHEMBL284699 0.81 TYR (0.47) LIPGNCEH1MAPTKDM4EALDH1A1

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
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-3989746-A ANALGESICS, ANTIINFLAMMATORY AGENTS IKEDA MOHANDO CO., LTD. (JA) 1976-11-02 US disclosed