Butylbenzyl

Butylbenzyl

SCHEMBL28035568

CCC(CC(CC)c1ccccc1C(=O)O)OC(=O)c1ccccc1.CCCCc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PRKCA P17252 2/20 0.40
PRKCD Q05655 2/20 0.40
ALDH1A1 P00352 1/20 0.39
PLK1 P53350 4/20 0.39
PLK3 Q9H4B4 3/20 0.39
RARB P10826 1/20 0.37
BRS3 P32247 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28036012 0.94 PRKCA (0.38) KMT2AMEN1PRKCAPRKCDALDH1A1
Isobutylbenzene SCHEMBL28035954 0.86 ALOX5 (0.35) KMT2AMEN1PRKCAPRKCDALDH1A1
Butylbenzyl SCHEMBL28035944 0.85 PLK1 (0.46) KMT2AMEN1ALDH1A1PLK1PLK3
SCHEMBL18489577 0.81 TRPV1 (0.50) KMT2AMEN1PRKCAPRKCDALDH1A1
Butylbenzyl SCHEMBL28035952 0.81 ALDH1A1 (0.48) KMT2AMEN1PRKCAPRKCDALDH1A1
SCHEMBL28035943 0.78 MCL1 (0.41) KMT2AMEN1ALDH1A1PLK1PLK3
SCHEMBL14715026 0.76 RARB (0.50) PRKCAPRKCDALDH1A1PLK1RARB
SCHEMBL14690354 0.76 RARB (0.50) PRKCAPRKCDALDH1A1PLK1RARB
SCHEMBL17699462 0.74 CYP4A11 (0.48) PRKCAPRKCDALDH1A1PLK1RARB
Butylbenzyl SCHEMBL28035951 0.74 PLK1 (0.47) KMT2AMEN1ALDH1A1PLK1PLK3

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