SCHEMBL28200575

SCHEMBL28200575

[CH]=C(F)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
ALDH1A1 P00352 3/20 0.50
FFAR1 O14842 2/20 0.50
TDP1 Q9NUW8 3/20 0.48
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL4192449 0.80 KEAP1 (0.58) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL1498978 0.76 KEAP1 (0.67) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL10049328 0.76 KEAP1 (0.54) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL8668318 0.76 ALDH1A1 (0.61) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL23406423 0.76 KEAP1 (0.54) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL8665089 0.74 KEAP1 (0.64) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL4141193 0.74 KEAP1 (0.64) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL11782266 0.73 ALDH1A1 (0.52) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL28098908 0.73 KEAP1 (0.50) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL10049324 0.73 ALDH1A1 (0.57) KEAP1ALDH1A1FFAR1TDP1HDAC2

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
CN-107722155-A A kind of alhpa olefin fluorobenzene ethene polymer and preparation method thereof 中国科学院长春应用化学研究所 2018-02-23 CN claimed
CN-107722155-A A kind of alhpa olefin fluorobenzene ethene polymer and preparation method thereof 中国科学院长春应用化学研究所 2018-02-23 CN disclosed