SCHEMBL14458264

SCHEMBL14458264

COc1cc(C)c(C)c(C)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
CA9 Q16790 1/20 0.46
PTGS2 P35354 1/20 0.43
TUBB1 Q9H4B7 3/20 0.41
CYP19A1 P11511 5/20 0.40
NQO2 P16083 5/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39

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
SCHEMBL12586888 0.85 ACHE (0.54) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL2500453 0.85 ACHE (0.54) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL684130 0.84 ACHE (0.59) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL1245069 0.84 ACHE (0.46) ACHECYP3A4MAPTCA9TUBB1
SCHEMBL1635426 0.82 ACHE (0.50) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL29793476 0.82 ACHE (0.50) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL3356035 0.81 ACHE (0.62) ACHECYP3A4MAPTCA9PTGS2
Iodide SCHEMBL8935417 0.80 ACHE (0.48) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL10584398 0.80 ACHE (0.48) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL12587650 0.79 MAPT (0.52) ACHECYP3A4MAPTCA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483256-A A kind of method of metallic nickel Catalytic lignin model object vanillic aldehyde hydrogenation deoxidation UNIV TIANJIN TECHNOLOGY 2019-11-22 CN claimed
CN-111088250-B mRNA capture sequence, capture carrier synthesis method and high-throughput single-cell sequencing library preparation method 中国科学院苏州生物医学工程技术研究所 2022-03-08 CN disclosed
CN-108671947-B Ni for hydrodeoxygenation of bio-oil2P/reduced graphene oxide catalyst and preparation method thereof 西安石油大学 2021-02-02 CN disclosed
CN-111088250-A mRNA capture sequence, capture carrier synthesis method and high-throughput single-cell sequencing library preparation method 中国科学院苏州生物医学工程技术研究所 2020-05-01 CN disclosed
CN-110483256-A A kind of method of metallic nickel Catalytic lignin model object vanillic aldehyde hydrogenation deoxidation UNIV TIANJIN TECHNOLOGY 2019-11-22 CN disclosed
CN-110483256-A A kind of method of metallic nickel Catalytic lignin model object vanillic aldehyde hydrogenation deoxidation UNIV TIANJIN TECHNOLOGY 2019-11-22 CN disclosed
CN-110354857-A A kind of preparation method and applications of Ni-based heterogeneous catalyst are in catalysis aldehyde compound hydrogenation deoxidation reaction 天津理工大学 2019-10-22 CN disclosed
CN-108671947-A Ni for biological oil hydrodeoxygenation reaction2P/ redox graphene catalyst and preparation method thereof 西安石油大学 2018-10-19 CN disclosed
WO-2007095630-A2 NEW UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 WO disclosed
WO-2007095631-A2 NEW DRUG DELIVERY SYSTEM FOR CROSSING THE BLOOD BRAIN BARRIER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 WO disclosed