SCHEMBL8062201

SCHEMBL8062201

CCCc1ccccc1CCCBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8070970 0.93 LIPG (0.46) LIPGCYP4F2CYP4A11HTR1AADRA2A
SCHEMBL8071174 0.91 LIPG (0.48) LIPGCYP4F2CYP4A11NR1H2NR1H3
SCHEMBL8078014 0.91 LIPG (0.48) LIPGCYP4F2CYP4A11NR1H2NR1H3
SCHEMBL8076376 0.91 LIPG (0.48) LIPGCYP4F2CYP4A11NR1H2NR1H3
SCHEMBL8062186 0.91 LIPG (0.48) LIPGCYP4F2CYP4A11NR1H2NR1H3
SCHEMBL8071241 0.91 LIPG (0.48) LIPGCYP4F2CYP4A11NR1H2NR1H3
SCHEMBL8070963 0.91 LIPG (0.48) LIPGCYP4F2CYP4A11NR1H2NR1H3
SCHEMBL8072359 0.91 LIPG (0.47) LIPGCYP4F2CYP4A11HTR1ACYP3A4
SCHEMBL4403272 0.88 TDP1 (0.43) LIPGCYP4F2CYP4A11TDP1TSHR
SCHEMBL31001652 0.88 TDP1 (0.43) LIPGCYP4F2CYP4A11TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed