Butylbenzyl

Butylbenzyl

SCHEMBL28035951

CC(CC(C)c1ccccc1C(=O)O)c1ccccc1C(=O)O.CCCCc1ccccc1

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PLK3 Q9H4B4 3/20 0.45
BRS3 P32247 2/20 0.45
DHODH Q02127 1/20 0.44
METAP2 P50579 1/20 0.44
RARB P10826 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EPHX2 P34913 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43

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
SCHEMBL28035522 0.91 POLB (0.43) PLK1SMN1; SMN2METAP2CYP1A2CYP2C9
Butylbenzyl SCHEMBL28035952 0.86 ALDH1A1 (0.48) PLK1SMN1; SMN2PLK3BRS3RARB
Butylbenzyl SCHEMBL28035944 0.84 PLK1 (0.46) PLK1SMN1; SMN2PLK3BRS3DHODH
Phthalic Acid SCHEMBL3679549 0.83 PLK1 (0.57) PLK1SMN1; SMN2PLK3DHODHMETAP2
Isobutylbenzene SCHEMBL28035953 0.81 DHODH (0.45) DHODHRARBCYP1A2CYP2C9ALDH1A1
SCHEMBL6384756 0.80 ALDH1A1 (0.51) CYP2C9ALDH1A1HPGDKDM4EMEN1
Phthalic Acid SCHEMBL28390429 0.80 PLK1 (0.61) PLK1PLK3DHODHMETAP2RARB
SCHEMBL6680659 0.79 ALDH1A1 (0.57) PLK1ALDH1A1KDM4EMEN1RECQL
Potassium SCHEMBL30050002 0.78 ALDH1A1 (0.56) PLK1ALDH1A1KDM4EMEN1RECQL
SCHEMBL6680902 0.78 ALDH1A1 (0.59) PLK1PLK3ALDH1A1KDM4EMEN1

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
CN-105085746-A Catalyst component for propylene polymerization, and catalyst thereof CHINA PETROLEUM & CHEMICAL 2015-11-25 CN claimed
CN-105085726-A Catalyst component for olefin polymerization, and catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-11-25 CN claimed
CN-105085746-A Catalyst component for propylene polymerization, and catalyst thereof CHINA PETROLEUM & CHEMICAL 2015-11-25 CN disclosed
CN-105085726-A Catalyst component for olefin polymerization, and catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-11-25 CN disclosed