SCHEMBL6062497

SCHEMBL6062497

COc1ccc(F)c(Bc2c(F)cc(F)cc2F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.40
NFE2L2 Q16236 3/20 0.38
PTGS1 P23219 1/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
TRPA1 O75762 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL6063023 0.93 TUBB1 (0.38) TUBB1NFE2L2PTGS1HTTLMNA
SCHEMBL5355583 0.89 TUBB1 (0.43) TUBB1NFE2L2PTGS1HTTLMNA
SCHEMBL6062545 0.88 TUBB1 (0.39) TUBB1NFE2L2HTTLMNAMAPK1
SCHEMBL6063456 0.86 TUBB1 (0.44) TUBB1NFE2L2PTGS1HTTLMNA
SCHEMBL6062483 0.85 TUBB1 (0.41) TUBB1NFE2L2PTGS1HTTLMNA
SCHEMBL6063832 0.84 TUBB1 (0.45) TUBB1NFE2L2PTGS1HTTLMNA
SCHEMBL6062151 0.83 TUBB1 (0.38) TUBB1NFE2L2HTTLMNAMAPK1
SCHEMBL5354701 0.83 TUBB1 (0.40) TUBB1NFE2L2PTGS1HTTLMNA
SCHEMBL5366348 0.83 TUBB1 (0.40) TUBB1NFE2L2PTGS1HTTLMNA
SCHEMBL5350651 0.83 TUBB1 (0.37) TUBB1NFE2L2PTGS1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264320-A1 Hydrophobization and silica for supported catalyst RODRIGUEZ GEORGE 2006-11-23 US disclosed
US-20060122306-A1 Polyester/polyamide blend having improved flavor retaining property and clarity EASTMAN CHEMICAL COMPANY 2006-06-08 US disclosed