SCHEMBL2294974

SCHEMBL2294974

CC(=O)C=C(C)C.CC(C)CC(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 1/20 0.43
ACHE P22303 1/20 0.38
CA2 P00918 1/20 0.37
STAT3 P40763 1/20 0.35
PRKCA P17252 1/20 0.33
KISS1R Q969F8 2/20 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
Acetone SCHEMBL10786728 0.79 ALDH1A1 (0.61) ALDH1A1TDP1CYP2C19ACHECA2
SCHEMBL36990 0.79 CYP2C19 (0.59) ALDH1A1TDP1CYP2C19ACHECA2
SCHEMBL10834211 0.79 CYP2C19 (0.59) ALDH1A1TDP1CYP2C19ACHECA2
Acetic Acid SCHEMBL20565997 0.76 ALDH1A1 (0.58) ALDH1A1TDP1CYP2C19ACHECA2
Methane SCHEMBL9155165 0.76 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19ACHECA2
Ammonia Solution, Strong SCHEMBL7923599 0.76 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19ACHECA2
Fluoride SCHEMBL5203462 0.76 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19ACHECA2
Water SCHEMBL3865217 0.76 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19ACHECA2
Hydrogen Peroxide SCHEMBL16799548 0.76 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19ACHECA2
SCHEMBL9659709 0.76 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19ACHECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2517788-B1 Synthesizing and utilizing novel ruthenium nanoparticle-activated charcoal-nano-zinc oxide composite catalyst KING ABDULAZIZ CITY FOR SCIENCE & TECH (KACST) (SA) 2017-11-22 EP claimed
EP-2517788-A1 Synthesizing and utilizing novel ruthenium nanoparticle-activated charcoal-nano-zinc oxide composite catalyst King Abdulaziz City for Science & Technology (KACST) (SA) 2012-10-31 EP claimed
US-20110197653-A1 SYNTHESIZING AND UTILIZING NOVEL RUTHENIUM NANOPARTICLE-ACTIVATED CHARCOAL-NANO-ZINC OXIDE COMPOSITE CATALYST King Abdulaziz City for Science and Technology (KACST) (SA) 2011-08-18 US claimed
CN-102744061-B Synthesis and utilization of novel ruthenium nanoparticle-activated carbon-nano-zinc oxide composite catalysts KING ABDULAZIZ CITY FOR SCIENCE & TECHNOLOGY KACST SA 2015-07-22 CN disclosed
CN-102744061-A Synthesis and utilization of novel ruthenium nanoparticle-activated carbon-nano-zinc oxide composite catalysts KING ABDULAZIZ CITY FOR SCIENCE & TECHNOLOGY KACST SA 2012-10-24 CN disclosed