SCHEMBL7038799

SCHEMBL7038799

Brc1ccc(OCCC(Br)(Br)Br)c(Br)c1Br

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL94045 0.85 TDP1 (0.37) F2PLAUST14TDP1CYP1A2
SCHEMBL11406541 0.83 F2 (0.39) F2PLAUST14TDP1CYP1A2
SCHEMBL10457118 0.83 F2 (0.43) F2PLAUST14TDP1CYP1A2
SCHEMBL11576827 0.78 IDO1 (0.43) F2PLAUST14
SCHEMBL11398711 0.78 HPGD (0.44) TDP1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL9685182 0.76 CYP1A2 (0.44) TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL11033525 0.74 F2 (0.31) F2PLAUST14TDP1CYP1A2
SCHEMBL8109088 0.74 THRA (0.43) CYP1A2CYP2C19
SCHEMBL9684798 0.73 THRA (0.45)
SCHEMBL9685134 0.73 THRA (0.45)

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
US-20030008090-A1 Fuel tanks; mixture of polymer and flame retarder BASELL POLYOLEFINE GMBH (DE) 2003-01-09 US disclosed